CID 53481535

9'-carboxy-alpha-tocotrienol

Structural Information

Molecular Formula
C24H34O4
SMILES
CC1=C(C2=C(CC[C@@](O2)(C)CC/C=C(\C)/CC/C=C(\C)/C(=O)O)C(=C1O)C)C
InChI
InChI=1S/C24H34O4/c1-15(9-7-11-16(2)23(26)27)10-8-13-24(6)14-12-20-19(5)21(25)17(3)18(4)22(20)28-24/h10-11,25H,7-9,12-14H2,1-6H3,(H,26,27)/b15-10+,16-11+/t24-/m1/s1
InChIKey
MEZYOZBFEXYIKB-ASKDMKCJSA-N
Compound name
(2E,6E)-9-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnona-2,6-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2457 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.25298 197.3
[M+Na]+ 409.23492 206.7
[M+NH4]+ 404.27952 203.3
[M+K]+ 425.20886 199.5
[M-H]- 385.23842 198.0
[M+Na-2H]- 407.22037 197.6
[M]+ 386.24515 198.7
[M]- 386.24625 198.7
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

No patent data available for this compound.