CID 64587346

1-(6-carbamoylpyridin-2-yl)piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C12H15N3O3
SMILES
C1CN(CCC1C(=O)O)C2=CC=CC(=N2)C(=O)N
InChI
InChI=1S/C12H15N3O3/c13-11(16)9-2-1-3-10(14-9)15-6-4-8(5-7-15)12(17)18/h1-3,8H,4-7H2,(H2,13,16)(H,17,18)
InChIKey
IIFSCIZSLDBHOT-UHFFFAOYSA-N
Compound name
1-(6-carbamoyl-2-pyridinyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11134 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.118616 156.0
[M+Na]+ 272.100558 160.8
[M-H]- 248.104064 157.7
[M+NH4]+ 267.145163 168.6
[M+K]+ 288.074498 157.9
[M+H-H2O]+ 232.108600 147.4
[M+HCOO]- 294.109541 172.0
[M+CH3COO]- 308.125191 193.1
[M+Na-2H]- 270.086006 157.5
[M]+ 249.11079142 150.0
[M]- 249.11188858 150.0
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.