CID 233245

2-cyclohexyl-3-phenylpropanoic acid

Structural Information

Molecular Formula
C15H20O2
SMILES
C1CCC(CC1)C(CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H20O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,16,17)
InChIKey
JRILKALTDODAHU-UHFFFAOYSA-N
Compound name
2-cyclohexyl-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.14633 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 155.3
[M+Na]+ 255.13555 157.5
[M-H]- 231.13905 159.0
[M+NH4]+ 250.18015 171.4
[M+K]+ 271.10949 154.6
[M+H-H2O]+ 215.14359 148.1
[M+HCOO]- 277.14453 172.1
[M+CH3COO]- 291.16018 188.4
[M+Na-2H]- 253.12100 156.8
[M]+ 232.14578 149.4
[M]- 232.14688 149.4
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