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

189
Patents

416.36542 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.37270 212.3
[M+Na]+ 439.35464 221.9
[M+NH4]+ 434.39924 220.0
[M+K]+ 455.32858 212.4
[M-H]- 415.35814 215.2
[M+Na-2H]- 437.34009 213.5
[M]+ 416.36487 214.7
[M]- 416.36597 214.7
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

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