CID 16787048

1-(5-chloropyridin-2-yl)piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H13ClN2O2
SMILES
C1CN(CCC1C(=O)O)C2=NC=C(C=C2)Cl
InChI
InChI=1S/C11H13ClN2O2/c12-9-1-2-10(13-7-9)14-5-3-8(4-6-14)11(15)16/h1-2,7-8H,3-6H2,(H,15,16)
InChIKey
YOSRZAOSDZTMAM-UHFFFAOYSA-N
Compound name
1-(5-chloropyridin-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

240.06656 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07384 150.9
[M+Na]+ 263.05578 157.8
[M-H]- 239.05928 152.9
[M+NH4]+ 258.10038 165.6
[M+K]+ 279.02972 153.3
[M+H-H2O]+ 223.06382 143.2
[M+HCOO]- 285.06476 162.8
[M+CH3COO]- 299.08041 187.0
[M+Na-2H]- 261.04123 154.1
[M]+ 240.06601 148.1
[M]- 240.06711 148.1
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