CID 9929901

Tocotrienol

Structural Information

Molecular Formula
C26H38O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CCC1(CCC2=C(O1)C=CC(=C2)O)C)/C)/C)C
InChI
InChI=1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+
InChIKey
GJJVAFUKOBZPCB-ZGRPYONQSA-N
Compound name
2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

885
References

38858
Patents

382.28717 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.29445 201.7
[M+Na]+ 405.27639 211.2
[M+NH4]+ 400.32099 209.0
[M+K]+ 421.25033 201.5
[M-H]- 381.27989 203.8
[M+Na-2H]- 403.26184 203.5
[M]+ 382.28662 203.6
[M]- 382.28772 203.6
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