CID 9887390

Eta-tocopherol

Structural Information

Molecular Formula
C27H46O2
SMILES
CC1=CC2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C=C1O
InChI
InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)23(5)18-26(24)29-27/h18-22,28H,7-17H2,1-6H3
InChIKey
PZZKGQBMBVYPGR-UHFFFAOYSA-N
Compound name
2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

710
Patents

402.3498 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.35708 208.3
[M+Na]+ 425.33902 217.8
[M+NH4]+ 420.38362 216.2
[M+K]+ 441.31296 208.3
[M-H]- 401.34252 211.2
[M+Na-2H]- 423.32447 210.0
[M]+ 402.34925 210.7
[M]- 402.35035 210.7
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

patents stripe