CID 50988627

6-{[(pyrrolidin-3-yl)methyl]amino}pyridine-3-carbonitrile hydrochloride

Structural Information

Molecular Formula
C11H14N4
SMILES
C1CNCC1CNC2=NC=C(C=C2)C#N
InChI
InChI=1S/C11H14N4/c12-5-9-1-2-11(14-7-9)15-8-10-3-4-13-6-10/h1-2,7,10,13H,3-4,6,8H2,(H,14,15)
InChIKey
XAIZURUTMBVSSY-UHFFFAOYSA-N
Compound name
6-(pyrrolidin-3-ylmethylamino)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12184 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.129116 144.6
[M+Na]+ 225.111058 151.9
[M-H]- 201.114564 145.3
[M+NH4]+ 220.155663 159.2
[M+K]+ 241.084998 146.9
[M+H-H2O]+ 185.119100 129.1
[M+HCOO]- 247.120041 161.0
[M+CH3COO]- 261.135691 154.1
[M+Na-2H]- 223.096506 148.5
[M]+ 202.12129142 134.4
[M]- 202.12238858 134.4
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.