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

15
Patents

191.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 142.0
[M+Na]+ 214.08386 148.2
[M-H]- 190.08736 145.8
[M+NH4]+ 209.12846 162.6
[M+K]+ 230.05780 145.8
[M+H-H2O]+ 174.09190 135.4
[M+HCOO]- 236.09284 162.2
[M+CH3COO]- 250.10849 177.2
[M+Na-2H]- 212.06931 146.5
[M]+ 191.09409 138.4
[M]- 191.09519 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