CID 4770990

1-methyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula

C₄H₇N₃

SMILES

CN1C=C(C=N1)N

InChI

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

InChIKey

LBGSWBJURUFGLR-UHFFFAOYSA-N

Compound name

1-methylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2705
Patents: 97.063995 Da
Monoisotopic Mass: -0.4
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	116.0
[M+Na]+	120.05321	127.2
[M+NH4]+	115.09782	124.4
[M+K]+	136.02715	124.0
[M-H]-	96.056719	117.0
[M+Na-2H]-	118.03866	122.3
[M]+	97.063446	117.6
[M]-	97.064544	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe