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

94
Patents

152.1062 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 134.1
[M+Na]+ 175.09542 139.8
[M-H]- 151.09892 131.8
[M+NH4]+ 170.14002 149.5
[M+K]+ 191.06936 136.2
[M+H-H2O]+ 135.10346 124.8
[M+HCOO]- 197.10440 148.9
[M+CH3COO]- 211.12005 144.4
[M+Na-2H]- 173.08087 138.9
[M]+ 152.10565 125.5
[M]- 152.10675 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe