CID 43102245

N-[(pyridin-3-yl)methyl]pyrrolidine-2-carboxamide dihydrochloride

Structural Information

Molecular Formula
C11H15N3O
SMILES
C1CC(NC1)C(=O)NCC2=CN=CC=C2
InChI
InChI=1S/C11H15N3O/c15-11(10-4-2-6-13-10)14-8-9-3-1-5-12-7-9/h1,3,5,7,10,13H,2,4,6,8H2,(H,14,15)
InChIKey
AFUXSLOZFGPQPN-UHFFFAOYSA-N
Compound name
N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1215 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 146.0
[M+Na]+ 228.11072 150.5
[M-H]- 204.11422 147.9
[M+NH4]+ 223.15532 162.4
[M+K]+ 244.08466 147.2
[M+H-H2O]+ 188.11876 137.4
[M+HCOO]- 250.11970 165.7
[M+CH3COO]- 264.13535 182.6
[M+Na-2H]- 226.09617 150.0
[M]+ 205.12095 140.4
[M]- 205.12205 140.4
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.