CID 2398027

5-amino-3-(3-aminopropyl)-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula

C₇H₁₁N₅

SMILES

C(CC1=C(C(=NN1)N)C#N)CN

InChI

InChI=1S/C7H11N5/c8-3-1-2-6-5(4-9)7(10)12-11-6/h1-3,8H2,(H3,10,11,12)

InChIKey

AALOEZGCFHDEHM-UHFFFAOYSA-N

Compound name

3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 165.10144 Da
Monoisotopic Mass: -0.1
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]+	166.10872	137.9
[M+Na]+	188.09066	146.2
[M+NH4]+	183.13526	140.9
[M+K]+	204.06460	140.3
[M-H]-	164.09416	130.8
[M+Na-2H]-	186.07611	139.0
[M]+	165.10089	135.7
[M]-	165.10199	135.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.