CID 15637148

135569-29-8

Structural Information

Molecular Formula
C13H13NO2
SMILES
C1CCC(C1)(C2=CC=C(C=C2)C#N)C(=O)O
InChI
InChI=1S/C13H13NO2/c14-9-10-3-5-11(6-4-10)13(12(15)16)7-1-2-8-13/h3-6H,1-2,7-8H2,(H,15,16)
InChIKey
PMILUQHECXXKGR-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09464 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 148.8
[M+Na]+ 238.08386 159.1
[M+NH4]+ 233.12846 154.6
[M+K]+ 254.05780 150.1
[M-H]- 214.08736 143.8
[M+Na-2H]- 236.06931 153.4
[M]+ 215.09409 148.0
[M]- 215.09519 148.0
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

No patent data available for this compound.