CID 206693

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

Structural Information

Molecular Formula

C₄H₇N₃

SMILES

CNC1=CNN=C1

InChI

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

InChIKey

KWXQBZOSFMENLD-UHFFFAOYSA-N

Compound name

N-methyl-1H-pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 148
Patents: 97.063995 Da
Monoisotopic Mass: 0.2
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	116.1
[M+Na]+	120.05321	124.3
[M-H]-	96.056719	116.0
[M+NH4]+	115.09782	137.6
[M+K]+	136.02715	122.9
[M+H-H2O]+	80.061255	109.4
[M+HCOO]-	142.06220	140.0
[M+CH3COO]-	156.07785	163.8
[M+Na-2H]-	118.03866	124.5
[M]+	97.063446	113.3
[M]-	97.064544	113.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe