CID 13070842

2-amino-5-methylnicotinonitrile

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

CC1=CC(=C(N=C1)N)C#N

InChI

InChI=1S/C7H7N3/c1-5-2-6(3-8)7(9)10-4-5/h2,4H,1H3,(H2,9,10)

InChIKey

OOKFORLRLLVDOD-UHFFFAOYSA-N

Compound name

2-amino-5-methylpyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 133.064 Da
Monoisotopic Mass: 1.1
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	128.7
[M+Na]+	156.05322	141.0
[M+NH4]+	151.09782	133.8
[M+K]+	172.02716	132.0
[M-H]-	132.05672	123.8
[M+Na-2H]-	154.03867	133.3
[M]+	133.06345	128.2
[M]-	133.06455	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe