CID 12408174

(1h-imidazol-4-yl)methanamine dihydrochloride

Structural Information

Molecular Formula

C₄H₇N₃

SMILES

C1=C(NC=N1)CN

InChI

InChI=1S/C4H7N3/c5-1-4-2-6-3-7-4/h2-3H,1,5H2,(H,6,7)

InChIKey

MPCYZPCWSYUWMJ-UHFFFAOYSA-N

Compound name

1H-imidazol-5-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 537
Patents: 97.063995 Da
Monoisotopic Mass: -1.0
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	116.4
[M+Na]+	120.05321	124.6
[M-H]-	96.056719	115.7
[M+NH4]+	115.09782	137.5
[M+K]+	136.02715	122.8
[M+H-H2O]+	80.061255	109.7
[M+HCOO]-	142.06220	139.6
[M+CH3COO]-	156.07785	163.2
[M+Na-2H]-	118.03866	123.7
[M]+	97.063446	112.5
[M]-	97.064544	112.5

Literature stripe

literature stripe

Patent stripe

patents stripe