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
9
Annotation Hits

35758
References

372326
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 216.4
[M+Na]+ 453.37029 226.1
[M+NH4]+ 448.41489 223.9
[M+K]+ 469.34423 216.6
[M-H]- 429.37379 219.2
[M+Na-2H]- 451.35574 217.1
[M]+ 430.38052 218.8
[M]- 430.38162 218.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe