CID 19763614

2-(1h-pyrazol-3-yl)piperazine

Structural Information

Molecular Formula
C7H12N4
SMILES
C1CNC(CN1)C2=CC=NN2
InChI
InChI=1S/C7H12N4/c1-2-10-11-6(1)7-5-8-3-4-9-7/h1-2,7-9H,3-5H2,(H,10,11)
InChIKey
SANLPMMCLNQJPP-UHFFFAOYSA-N
Compound name
2-(1H-pyrazol-5-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

152.1062 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 134.7
[M+Na]+ 175.09542 140.0
[M-H]- 151.09892 131.1
[M+NH4]+ 170.14002 149.4
[M+K]+ 191.06936 135.5
[M+H-H2O]+ 135.10346 125.7
[M+HCOO]- 197.10440 148.0
[M+CH3COO]- 211.12005 144.3
[M+Na-2H]- 173.08087 139.1
[M]+ 152.10565 124.4
[M]- 152.10675 124.4
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