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]+ 233.153606 155.3
[M+Na]+ 255.135548 157.5
[M-H]- 231.139054 159.0
[M+NH4]+ 250.180153 171.4
[M+K]+ 271.109488 154.6
[M+H-H2O]+ 215.143590 148.1
[M+HCOO]- 277.144531 172.1
[M+CH3COO]- 291.160181 188.4
[M+Na-2H]- 253.120996 156.8
[M]+ 232.14578142 149.4
[M]- 232.14687858 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