CID 12210348

2-(cyclohexyloxy)benzoic acid

Structural Information

Molecular Formula
C13H16O3
SMILES
C1CCC(CC1)OC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C13H16O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,14,15)
InChIKey
WKZMKIVYWDNOJL-UHFFFAOYSA-N
Compound name
2-cyclohexyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2427
Patents

220.10994 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 148.6
[M+Na]+ 243.099158 152.9
[M-H]- 219.102664 153.1
[M+NH4]+ 238.143763 165.6
[M+K]+ 259.073098 150.6
[M+H-H2O]+ 203.107200 141.7
[M+HCOO]- 265.108141 167.4
[M+CH3COO]- 279.123791 184.8
[M+Na-2H]- 241.084606 151.9
[M]+ 220.10939142 144.6
[M]- 220.11048858 144.6
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