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-chloro-2-pyridinyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

240.06656 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.073836 150.9
[M+Na]+ 263.055778 157.8
[M-H]- 239.059284 152.9
[M+NH4]+ 258.100383 165.6
[M+K]+ 279.029718 153.3
[M+H-H2O]+ 223.063820 143.2
[M+HCOO]- 285.064761 162.8
[M+CH3COO]- 299.080411 187.0
[M+Na-2H]- 261.041226 154.1
[M]+ 240.06601142 148.1
[M]- 240.06710858 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