CID 23063800

N,1-dimethyl-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

CNC1=CN(N=C1)C

InChI

InChI=1S/C5H9N3/c1-6-5-3-7-8(2)4-5/h3-4,6H,1-2H3

InChIKey

VUVUCWXFEBDWEO-UHFFFAOYSA-N

Compound name

N,1-dimethylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 441
Patents: 111.07965 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]+	112.086926	120.0
[M+Na]+	134.068868	129.1
[M-H]-	110.072374	121.4
[M+NH4]+	129.113473	141.9
[M+K]+	150.042808	128.3
[M+H-H2O]+	94.076910	113.2
[M+HCOO]-	156.077851	145.0
[M+CH3COO]-	170.093501	170.6
[M+Na-2H]-	132.054316	127.6
[M]+	111.07910142	119.8
[M]-	111.08019858	119.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe