CID 12384871

2-phenylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C13H16O2
SMILES
C1CCC(C(C1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H16O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15)
InChIKey
BTERYDAAQMJMTD-UHFFFAOYSA-N
Compound name
2-phenylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

204.11504 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

patents stripe