CID 61675946

1-(1h-pyrazol-4-yl)piperazine dihydrochloride

Structural Information

Molecular Formula
C7H12N4
SMILES
C1CN(CCN1)C2=CNN=C2
InChI
InChI=1S/C7H12N4/c1-3-11(4-2-8-1)7-5-9-10-6-7/h5-6,8H,1-4H2,(H,9,10)
InChIKey
FILWPDPGRBPZDL-UHFFFAOYSA-N
Compound name
1-(1H-pyrazol-4-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

152.1062 Da
Monoisotopic Mass

-0.3
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

No literature data available for this compound.

Patent stripe

patents stripe