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 152.9
[M+Na]+ 238.08386 162.4
[M-H]- 214.08736 157.4
[M+NH4]+ 233.12846 172.1
[M+K]+ 254.05780 156.4
[M+H-H2O]+ 198.09190 140.7
[M+HCOO]- 260.09284 170.4
[M+CH3COO]- 274.10849 195.0
[M+Na-2H]- 236.06931 155.4
[M]+ 215.09409 145.2
[M]- 215.09519 145.2
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.