CID 53481452

11'-carboxy-alpha-tocotrienol

Structural Information

Molecular Formula
C26H38O4
SMILES
CC1=C(C2=C(CC[C@@](O2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC(=O)O)C(=C1O)C)C
InChI
InChI=1S/C26H38O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h10-11,29H,7-9,12-16H2,1-6H3,(H,27,28)/b17-11+,18-10+/t26-/m1/s1
InChIKey
LAVCYAUSHCEKED-KYVGBUAPSA-N
Compound name
(4E,8E)-11-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-4,8-dimethylundeca-4,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.277 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.28428 206.0
[M+Na]+ 437.26622 215.0
[M+NH4]+ 432.31082 211.7
[M+K]+ 453.24016 207.4
[M-H]- 413.26972 206.7
[M+Na-2H]- 435.25167 205.8
[M]+ 414.27645 207.4
[M]- 414.27755 207.4
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.