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]+ 319.22676 181.7
[M+Na]+ 341.20870 185.6
[M-H]- 317.21220 181.2
[M+NH4]+ 336.25330 195.0
[M+K]+ 357.18264 180.1
[M+H-H2O]+ 301.21674 174.6
[M+HCOO]- 363.21768 199.6
[M+CH3COO]- 377.23333 206.1
[M+Na-2H]- 339.19415 180.4
[M]+ 318.21893 184.8
[M]- 318.22003 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.