CID 883879

N-[(pyridin-3-yl)methyl]piperidine-4-carboxamide dihydrochloride

Structural Information

Molecular Formula
C12H17N3O
SMILES
C1CNCCC1C(=O)NCC2=CN=CC=C2
InChI
InChI=1S/C12H17N3O/c16-12(11-3-6-13-7-4-11)15-9-10-2-1-5-14-8-10/h1-2,5,8,11,13H,3-4,6-7,9H2,(H,15,16)
InChIKey
AJYLRDRZBOYTST-UHFFFAOYSA-N
Compound name
N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

219.13716 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 150.6
[M+Na]+ 242.12638 153.7
[M-H]- 218.12988 151.8
[M+NH4]+ 237.17098 164.4
[M+K]+ 258.10032 150.0
[M+H-H2O]+ 202.13442 141.5
[M+HCOO]- 264.13536 167.6
[M+CH3COO]- 278.15101 186.1
[M+Na-2H]- 240.11183 155.6
[M]+ 219.13661 143.1
[M]- 219.13771 143.1
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