CID 67317

4-(cyclohexyloxy)benzoic acid

Structural Information

Molecular Formula
C13H16O3
SMILES
C1CCC(CC1)OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H16O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,14,15)
InChIKey
OTPHEAKUEAICPM-UHFFFAOYSA-N
Compound name
4-cyclohexyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

66
Patents

220.10994 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 148.6
[M+Na]+ 243.09916 152.9
[M-H]- 219.10266 153.1
[M+NH4]+ 238.14376 165.6
[M+K]+ 259.07310 150.6
[M+H-H2O]+ 203.10720 141.7
[M+HCOO]- 265.10814 167.4
[M+CH3COO]- 279.12379 184.8
[M+Na-2H]- 241.08461 151.9
[M]+ 220.10939 144.6
[M]- 220.11049 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