CID 53481534

9'-carboxy-alpha-chromanol

Structural Information

Molecular Formula
C24H38O4
SMILES
CC1=C(C2=C(CC[C@](O2)(C)CCC[C@@H](C)CCCC(C)C(=O)O)C(=C1O)C)C
InChI
InChI=1S/C24H38O4/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/h15-16,25H,7-14H2,1-6H3,(H,26,27)/t15-,16?,24-/m0/s1
InChIKey
CUGVBZDXUTZXJO-GCIQOJCMSA-N
Compound name
(6S)-9-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.277 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.28428 199.1
[M+Na]+ 413.26622 208.4
[M+NH4]+ 408.31082 205.7
[M+K]+ 429.24016 201.4
[M-H]- 389.26972 200.3
[M+Na-2H]- 411.25167 199.6
[M]+ 390.27645 200.8
[M]- 390.27755 200.8
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.