CID 74618

5-cyclohexyl-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C13H16O3
SMILES
C1CCC(CC1)C2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C13H16O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16)
InChIKey
GZEPXNUXMPYSOQ-UHFFFAOYSA-N
Compound name
5-cyclohexyl-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

372
Patents

220.10994 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 148.7
[M+Na]+ 243.099158 153.6
[M-H]- 219.102664 152.2
[M+NH4]+ 238.143763 165.4
[M+K]+ 259.073098 150.4
[M+H-H2O]+ 203.107200 142.4
[M+HCOO]- 265.108141 166.0
[M+CH3COO]- 279.123791 183.5
[M+Na-2H]- 241.084606 150.9
[M]+ 220.10939142 143.3
[M]- 220.11048858 143.3
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

patents stripe