CID 14351759

5-amino-1-methylimidazole

Structural Information

Molecular Formula

C₄H₇N₃

SMILES

CN1C=NC=C1N

InChI

InChI=1S/C4H7N3/c1-7-3-6-2-4(7)5/h2-3H,5H2,1H3

InChIKey

JKYQSWDQLDFSSJ-UHFFFAOYSA-N

Compound name

3-methylimidazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 97.063995 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]+	98.071271	115.8
[M+Na]+	120.05321	125.4
[M-H]-	96.056719	116.9
[M+NH4]+	115.09782	138.0
[M+K]+	136.02715	124.4
[M+H-H2O]+	80.061255	109.2
[M+HCOO]-	142.06220	140.5
[M+CH3COO]-	156.07785	166.9
[M+Na-2H]-	118.03866	122.9
[M]+	97.063446	114.2
[M]-	97.064544	114.2

Literature stripe

literature stripe

Patent stripe

patents stripe