CID 407624

40637-80-7

Structural Information

Molecular Formula

C₅H₆N₄

SMILES

CN1C=NC(=C1C#N)N

InChI

InChI=1S/C5H6N4/c1-9-3-8-5(7)4(9)2-6/h3H,7H2,1H3

InChIKey

MUCJLNAYMQWOJK-UHFFFAOYSA-N

Compound name

5-amino-3-methylimidazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 122.05925 Da
Monoisotopic Mass: 0.3
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	124.6
[M+Na]+	145.04847	135.3
[M+NH4]+	140.09307	128.9
[M+K]+	161.02241	129.0
[M-H]-	121.05197	118.1
[M+Na-2H]-	143.03392	127.6
[M]+	122.05870	123.2
[M]-	122.05980	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe