CID 7020572

2-cyclohexylbenzoic acid

Structural Information

Molecular Formula
C13H16O2
SMILES
C1CCC(CC1)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C13H16O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,14,15)
InChIKey
ZKTFZNPTAJIXMK-UHFFFAOYSA-N
Compound name
2-cyclohexylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3943
Patents

204.11504 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 145.6
[M+Na]+ 227.10426 149.9
[M-H]- 203.10776 150.1
[M+NH4]+ 222.14886 163.3
[M+K]+ 243.07820 147.0
[M+H-H2O]+ 187.11230 138.9
[M+HCOO]- 249.11324 164.1
[M+CH3COO]- 263.12889 182.7
[M+Na-2H]- 225.08971 148.8
[M]+ 204.11449 140.0
[M]- 204.11559 140.0
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