CID 13016706

79681-02-0

Structural Information

Molecular Formula

C₄H₇N₃

SMILES

CC1=C(N=CN1)N

InChI

InChI=1S/C4H7N3/c1-3-4(5)7-2-6-3/h2H,5H2,1H3,(H,6,7)

InChIKey

XVZKKIYWHYCKLD-UHFFFAOYSA-N

Compound name

5-methyl-1H-imidazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 97.063995 Da
Monoisotopic Mass: 0.1
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]+	98.071271	116.4
[M+Na]+	120.05321	127.0
[M+NH4]+	115.09782	124.3
[M+K]+	136.02715	124.1
[M-H]-	96.056719	116.8
[M+Na-2H]-	118.03866	122.0
[M]+	97.063446	117.6
[M]-	97.064544	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe