CID 63962899

N1-(1-methyl-1h-pyrazol-5-yl)ethane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

CN1C(=CC=N1)NCCN

InChI

InChI=1S/C6H12N4/c1-10-6(2-4-9-10)8-5-3-7/h2,4,8H,3,5,7H2,1H3

InChIKey

CUTNSFKUMKABGS-UHFFFAOYSA-N

Compound name

N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 140.1062 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]+	141.11348	128.2
[M+Na]+	163.09542	136.0
[M-H]-	139.09892	129.0
[M+NH4]+	158.14002	148.3
[M+K]+	179.06936	134.4
[M+H-H2O]+	123.10346	120.6
[M+HCOO]-	185.10440	153.3
[M+CH3COO]-	199.12005	177.9
[M+Na-2H]-	161.08087	134.7
[M]+	140.10565	126.6
[M]-	140.10675	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe