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-carbamoylpyridin-2-yl)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]+ 250.11862 156.0
[M+Na]+ 272.10056 160.8
[M-H]- 248.10406 157.7
[M+NH4]+ 267.14516 168.6
[M+K]+ 288.07450 157.9
[M+H-H2O]+ 232.10860 147.4
[M+HCOO]- 294.10954 172.0
[M+CH3COO]- 308.12519 193.1
[M+Na-2H]- 270.08601 157.5
[M]+ 249.11079 150.0
[M]- 249.11189 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.