CID 20063942

2126161-24-6

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

C1=C(C=NC=C1C#N)CN

InChI

InChI=1S/C7H7N3/c8-2-6-1-7(3-9)5-10-4-6/h1,4-5H,2,8H2

InChIKey

WWGJGUXPSUGYRY-UHFFFAOYSA-N

Compound name

5-(aminomethyl)pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 133.064 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	134.07128	126.8
[M+Na]+	156.05322	136.7
[M-H]-	132.05672	128.3
[M+NH4]+	151.09782	144.7
[M+K]+	172.02716	134.2
[M+H-H2O]+	116.06126	113.7
[M+HCOO]-	178.06220	147.2
[M+CH3COO]-	192.07785	187.4
[M+Na-2H]-	154.03867	134.0
[M]+	133.06345	120.0
[M]-	133.06455	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe