PubChemLite - Ascorbyl linoleate (C24H38O7)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O

InChI

InChI=1S/C24H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h6-7,9-10,19,23,25,27-28H,2-5,8,11-18H2,1H3/b7-6-,10-9-/t19-,23+/m0/s1

InChIKey

PRFQZMITZQNIQW-SAMIYVOISA-N

Compound name

[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (9Z,12Z)-octadeca-9,12-dienoate

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]+	439.26903	211.8
[M+Na]+	461.25097	215.6
[M+NH4]+	456.29557	209.2
[M+K]+	477.22491	213.4
[M-H]-	437.25447	208.2
[M+Na-2H]-	459.23642	206.6
[M]+	438.26120	210.4
[M]-	438.26230	210.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.26903

211.8

[M+Na]+

461.25097

215.6

[M+NH4]+

456.29557

209.2

[M+K]+

477.22491

213.4

[M-H]-

437.25447

208.2

[M+Na-2H]-

459.23642

206.6

[M]+

438.26120

210.4

[M]-

438.26230

210.4

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

Ascorbyl linoleate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe