CID 43519509

1-(1-methyl-1h-pyrazol-4-yl)ethane-1,2-diamine

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

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

InChI

InChI=1S/C6H12N4/c1-10-4-5(3-9-10)6(8)2-7/h3-4,6H,2,7-8H2,1H3

InChIKey

HIWAIHBATLLXPU-UHFFFAOYSA-N

Compound name

1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 140.1062 Da
Monoisotopic Mass: -1.8
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]+	141.11348	128.8
[M+Na]+	163.09542	137.6
[M+NH4]+	158.14002	135.9
[M+K]+	179.06936	135.4
[M-H]-	139.09892	129.5
[M+Na-2H]-	161.08087	133.3
[M]+	140.10565	129.7
[M]-	140.10675	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe