CID 9990114

1-(pyridin-3-yl)cyclopentane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CCC(C1)(C2=CN=CC=C2)C(=O)O
InChI
InChI=1S/C11H13NO2/c13-10(14)11(5-1-2-6-11)9-4-3-7-12-8-9/h3-4,7-8H,1-2,5-6H2,(H,13,14)
InChIKey
NFFPUQUHEGRCPB-UHFFFAOYSA-N
Compound name
1-pyridin-3-ylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

191.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 142.0
[M+Na]+ 214.083858 148.2
[M-H]- 190.087364 145.8
[M+NH4]+ 209.128463 162.6
[M+K]+ 230.057798 145.8
[M+H-H2O]+ 174.091900 135.4
[M+HCOO]- 236.092841 162.2
[M+CH3COO]- 250.108491 177.2
[M+Na-2H]- 212.069306 146.5
[M]+ 191.09409142 138.4
[M]- 191.09518858 138.4
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