CID 21961480

137225-13-9

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

CNC1=NC=CC(=C1)C#N

InChI

InChI=1S/C7H7N3/c1-9-7-4-6(5-8)2-3-10-7/h2-4H,1H3,(H,9,10)

InChIKey

WWADDKFIMVEGBH-UHFFFAOYSA-N

Compound name

2-(methylamino)pyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 133.064 Da
Monoisotopic Mass: 0.9
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	129.6
[M+Na]+	156.05322	141.9
[M+NH4]+	151.09782	134.8
[M+K]+	172.02716	132.4
[M-H]-	132.05672	124.8
[M+Na-2H]-	154.03867	134.8
[M]+	133.06345	129.1
[M]-	133.06455	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe