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]+ 203.12912 144.6
[M+Na]+ 225.11106 151.9
[M-H]- 201.11456 145.3
[M+NH4]+ 220.15566 159.2
[M+K]+ 241.08500 146.9
[M+H-H2O]+ 185.11910 129.1
[M+HCOO]- 247.12004 161.0
[M+CH3COO]- 261.13569 154.1
[M+Na-2H]- 223.09651 148.5
[M]+ 202.12129 134.4
[M]- 202.12239 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.