CID 19879422

2-(piperazin-1-yl)propanenitrile dihydrochloride

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC(C#N)N1CCNCC1

InChI

InChI=1S/C7H13N3/c1-7(6-8)10-4-2-9-3-5-10/h7,9H,2-5H2,1H3

InChIKey

FJCXXLZGBXLQNN-UHFFFAOYSA-N

Compound name

2-piperazin-1-ylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 139.11095 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]+	140.118226	128.3
[M+Na]+	162.100168	134.6
[M-H]-	138.103674	126.6
[M+NH4]+	157.144773	144.1
[M+K]+	178.074108	132.6
[M+H-H2O]+	122.108210	114.7
[M+HCOO]-	184.109151	141.1
[M+CH3COO]-	198.124801	184.5
[M+Na-2H]-	160.085616	132.9
[M]+	139.11040142	117.2
[M]-	139.11149858	117.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe