CID 2116

Dl-alpha-tocopherol

Structural Information

Molecular Formula
C29H50O2
SMILES
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C
InChI
InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3
InChIKey
GVJHHUAWPYXKBD-UHFFFAOYSA-N
Compound name
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

34020
References

135570
Patents

430.38107 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.388346 216.8
[M+Na]+ 453.370288 219.2
[M-H]- 429.373794 218.4
[M+NH4]+ 448.414893 228.5
[M+K]+ 469.344228 215.6
[M+H-H2O]+ 413.378330 209.9
[M+HCOO]- 475.379271 226.2
[M+CH3COO]- 489.394921 238.7
[M+Na-2H]- 451.355736 210.2
[M]+ 430.38052142 221.6
[M]- 430.38161858 221.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe