CID 22361242

1-(1h-imidazol-2-yl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₂N₄

SMILES

C1CN(CCN1)C2=NC=CN2

InChI

InChI=1S/C7H12N4/c1-2-10-7(9-1)11-5-3-8-4-6-11/h1-2,8H,3-6H2,(H,9,10)

InChIKey

MHMOUFDAKNJXSK-UHFFFAOYSA-N

Compound name

1-(1H-imidazol-2-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 152.1062 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]+	153.113476	134.1
[M+Na]+	175.095418	139.8
[M-H]-	151.098924	131.8
[M+NH4]+	170.140023	149.5
[M+K]+	191.069358	136.2
[M+H-H2O]+	135.103460	124.8
[M+HCOO]-	197.104401	148.9
[M+CH3COO]-	211.120051	144.4
[M+Na-2H]-	173.080866	138.9
[M]+	152.10565142	125.5
[M]-	152.10674858	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe