CID 7175809

1-[(1-ethyl-3,5-dimethyl-1h-pyrazol-4-yl)methyl]piperazine

Structural Information

Molecular Formula
C12H22N4
SMILES
CCN1C(=C(C(=N1)C)CN2CCNCC2)C
InChI
InChI=1S/C12H22N4/c1-4-16-11(3)12(10(2)14-16)9-15-7-5-13-6-8-15/h13H,4-9H2,1-3H3
InChIKey
KCZKNOAHLBHRNC-UHFFFAOYSA-N
Compound name
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.18445 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.19173 156.8
[M+Na]+ 245.17367 163.6
[M-H]- 221.17717 156.2
[M+NH4]+ 240.21827 171.0
[M+K]+ 261.14761 159.5
[M+H-H2O]+ 205.18171 147.3
[M+HCOO]- 267.18265 171.3
[M+CH3COO]- 281.19830 188.9
[M+Na-2H]- 243.15912 157.1
[M]+ 222.18390 153.0
[M]- 222.18500 153.0
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

No patent data available for this compound.