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
2
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]+ 391.284276 199.3
[M+Na]+ 413.266218 203.5
[M-H]- 389.269724 200.6
[M+NH4]+ 408.310823 211.8
[M+K]+ 429.240158 201.0
[M+H-H2O]+ 373.274260 193.4
[M+HCOO]- 435.275201 209.6
[M+CH3COO]- 449.290851 225.4
[M+Na-2H]- 411.251666 195.3
[M]+ 390.27645142 202.9
[M]- 390.27754858 202.9
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.