CID 10290764

1-methyl-1h-pyrazole-4,5-diamine hydrochloride

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CN1C(=C(C=N1)N)N

InChI

InChI=1S/C4H8N4/c1-8-4(6)3(5)2-7-8/h2H,5-6H2,1H3

InChIKey

XOAXOKSJNVLLHZ-UHFFFAOYSA-N

Compound name

2-methylpyrazole-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4988
Patents: 112.0749 Da
Monoisotopic Mass: -0.8
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]+	113.08218	119.4
[M+Na]+	135.06412	129.4
[M+NH4]+	130.10872	127.0
[M+K]+	151.03806	127.1
[M-H]-	111.06762	120.5
[M+Na-2H]-	133.04957	124.6
[M]+	112.07435	120.7
[M]-	112.07545	120.7

Literature stripe

literature stripe

Patent stripe

patents stripe