PubChemLite - Tetrahexyldecyl ascorbate (C70H128O10)

Structural Information

Molecular Formula

SMILES

CCCCCCCCC(CCCCCC)C(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)OC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC

InChI

InChI=1S/C70H128O10/c1-9-17-25-33-37-45-50-58(49-41-29-21-13-5)66(71)76-57-62(77-67(72)59(51-42-30-22-14-6)54-46-38-34-26-18-10-2)63-64(79-68(73)60(52-43-31-23-15-7)55-47-39-35-27-19-11-3)65(70(75)78-63)80-69(74)61(53-44-32-24-16-8)56-48-40-36-28-20-12-4/h58-63H,9-57H2,1-8H3/t58?,59?,60?,61?,62-,63+/m0/s1

InChIKey

OEWBEINAQKIQLZ-CMRBMDBWSA-N

Compound name

[(2S)-2-[(2R)-3,4-bis(2-hexyldecanoyloxy)-5-oxo-2H-furan-2-yl]-2-(2-hexyldecanoyloxy)ethyl] 2-hexyldecanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1129.9581	361.3
[M+Na]+	1151.9400	368.6
[M-H]-	1127.9435	353.9
[M+NH4]+	1146.9846	382.2
[M+K]+	1167.9140	382.3
[M+H-H2O]+	1111.9481	367.7
[M+HCOO]-	1173.9490	348.9
[M+CH3COO]-	1187.9647	354.9
[M+Na-2H]-	1149.9255	338.5
[M]+	1128.9503	371.8
[M]-	1128.9513	371.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1129.9581

361.3

[M+Na]+

1151.9400

368.6

[M-H]-

1127.9435

353.9

[M+NH4]+

1146.9846

382.2

[M+K]+

1167.9140

382.3

[M+H-H2O]+

1111.9481

367.7

[M+HCOO]-

1173.9490

348.9

[M+CH3COO]-

1187.9647

354.9

[M+Na-2H]-

1149.9255

338.5

[M]+

1128.9503

371.8

[M]-

1128.9513

371.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Tetrahexyldecyl ascorbate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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