PubChemLite - Delta-tocopherol (C27H46O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O

InChI

InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1

InChIKey

GZIFEOYASATJEH-VHFRWLAGSA-N

Compound name

(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

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]+	403.35708	208.3
[M+Na]+	425.33902	217.8
[M+NH4]+	420.38362	216.2
[M+K]+	441.31296	208.3
[M-H]-	401.34252	211.2
[M+Na-2H]-	423.32447	210.0
[M]+	402.34925	210.7
[M]-	402.35035	210.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

403.35708

208.3

[M+Na]+

425.33902

217.8

[M+NH4]+

420.38362

216.2

[M+K]+

441.31296

208.3

[M-H]-

401.34252

211.2

[M+Na-2H]-

423.32447

210.0

[M]+

402.34925

210.7

[M]-

402.35035

210.7

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

Delta-tocopherol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe