CID 56828582

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

Structural Information

Molecular Formula
C8H14N4
SMILES
CN1C=C(C=N1)N2CCNCC2
InChI
InChI=1S/C8H14N4/c1-11-7-8(6-10-11)12-4-2-9-3-5-12/h6-7,9H,2-5H2,1H3
InChIKey
CEDXNHGVYPISPG-UHFFFAOYSA-N
Compound name
1-(1-methylpyrazol-4-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

166.12184 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.129116 138.4
[M+Na]+ 189.111058 145.0
[M-H]- 165.114564 137.7
[M+NH4]+ 184.155663 154.3
[M+K]+ 205.084998 142.1
[M+H-H2O]+ 149.119100 129.0
[M+HCOO]- 211.120041 154.3
[M+CH3COO]- 225.135691 149.3
[M+Na-2H]- 187.096506 142.4
[M]+ 166.12129142 132.4
[M]- 166.12238858 132.4
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