CID 227460

5-amino-3-methyl-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula

C₅H₆N₄

SMILES

CC1=C(C(=NN1)N)C#N

InChI

InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)

InChIKey

CRRHJAMDQMQGKG-UHFFFAOYSA-N

Compound name

3-amino-5-methyl-1H-pyrazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 154
Patents: 122.05925 Da
Monoisotopic Mass: 0.5
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]+	123.06653	125.1
[M+Na]+	145.04847	135.2
[M+NH4]+	140.09307	129.0
[M+K]+	161.02241	129.2
[M-H]-	121.05197	118.1
[M+Na-2H]-	143.03392	127.5
[M]+	122.05870	123.4
[M]-	122.05980	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe