CID 131752388

2-hydroxy-6-(8-tridecenyl)benzoic acid

Structural Information

Molecular Formula
C20H30O3
SMILES
CCCCC/C=C\CCCCCCC1=C(C(=CC=C1)O)C(=O)O
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h6-7,13,15-16,21H,2-5,8-12,14H2,1H3,(H,22,23)/b7-6-
InChIKey
NIHXXEQAKMXJMU-SREVYHEPSA-N
Compound name
2-hydroxy-6-[(Z)-tridec-7-enyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.21948 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.226756 181.7
[M+Na]+ 341.208698 185.6
[M-H]- 317.212204 181.2
[M+NH4]+ 336.253303 195.0
[M+K]+ 357.182638 180.1
[M+H-H2O]+ 301.216740 174.6
[M+HCOO]- 363.217681 199.6
[M+CH3COO]- 377.233331 206.1
[M+Na-2H]- 339.194146 180.4
[M]+ 318.21893142 184.8
[M]- 318.22002858 184.8
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.