CID 14986

Tocopherols

Structural Information

Molecular Formula
C28H48O2
SMILES
CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O
InChI
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3
InChIKey
QUEDXNHFTDJVIY-UHFFFAOYSA-N
Compound name
2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

4249
References

68731
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 213.4
[M+Na]+ 439.35464 215.4
[M-H]- 415.35814 214.9
[M+NH4]+ 434.39924 225.5
[M+K]+ 455.32858 211.9
[M+H-H2O]+ 399.36268 206.4
[M+HCOO]- 461.36362 223.2
[M+CH3COO]- 475.37927 234.5
[M+Na-2H]- 437.34009 207.9
[M]+ 416.36487 217.5
[M]- 416.36597 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.