CID 58163889

645408-48-6

Structural Information

Molecular Formula
C15H20O2
SMILES
C1CCC(CC1)(CCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H20O2/c16-14(17)15(10-5-2-6-11-15)12-9-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,17)
InChIKey
YBPPWOLVLAYLSA-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 156.0
[M+Na]+ 255.13555 159.5
[M-H]- 231.13905 160.1
[M+NH4]+ 250.18015 174.3
[M+K]+ 271.10949 156.4
[M+H-H2O]+ 215.14359 149.3
[M+HCOO]- 277.14453 173.8
[M+CH3COO]- 291.16018 187.1
[M+Na-2H]- 253.12100 159.7
[M]+ 232.14578 151.0
[M]- 232.14688 151.0
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