CID 9823230

Z2-tocopherol

Structural Information

Molecular Formula
C28H48O2
SMILES
CC1=CC2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C
InChI
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)27(29)23(5)19-26(25)30-28/h19-22,29H,8-18H2,1-7H3
InChIKey
WZVWUSABZGIQJZ-UHFFFAOYSA-N
Compound name
2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

416.36542 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.372696 213.4
[M+Na]+ 439.354638 215.4
[M-H]- 415.358144 214.9
[M+NH4]+ 434.399243 225.5
[M+K]+ 455.328578 211.9
[M+H-H2O]+ 399.362680 206.4
[M+HCOO]- 461.363621 223.2
[M+CH3COO]- 475.379271 234.5
[M+Na-2H]- 437.340086 207.9
[M]+ 416.36487142 217.5
[M]- 416.36596858 217.5
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