CID 14985

Vitamin e

Structural Information

Molecular Formula
C29H50O2
SMILES
CC1=C(C2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](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/t21-,22-,29-/m1/s1
InChIKey
GVJHHUAWPYXKBD-IEOSBIPESA-N
Compound name
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

34020
References

135297
Patents

430.38107 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.38835 216.8
[M+Na]+ 453.37029 219.2
[M-H]- 429.37379 218.4
[M+NH4]+ 448.41489 228.5
[M+K]+ 469.34423 215.6
[M+H-H2O]+ 413.37833 209.9
[M+HCOO]- 475.37927 226.2
[M+CH3COO]- 489.39492 238.7
[M+Na-2H]- 451.35574 210.2
[M]+ 430.38052 221.6
[M]- 430.38162 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

No patent data available for this compound.