CID 82704849

(2s)-2-methyl-1-(1-methyl-1h-pyrazole-4-carbonyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C10H16N4O
SMILES
C[C@H]1CNCCN1C(=O)C2=CN(N=C2)C
InChI
InChI=1S/C10H16N4O/c1-8-5-11-3-4-14(8)10(15)9-6-12-13(2)7-9/h6-8,11H,3-5H2,1-2H3/t8-/m0/s1
InChIKey
ZFGNYHITZANEEB-QMMMGPOBSA-N
Compound name
[(2S)-2-methylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 149.9
[M+Na]+ 231.121638 156.6
[M-H]- 207.125144 149.6
[M+NH4]+ 226.166243 164.3
[M+K]+ 247.095578 153.5
[M+H-H2O]+ 191.129680 140.6
[M+HCOO]- 253.130621 164.6
[M+CH3COO]- 267.146271 183.3
[M+Na-2H]- 229.107086 151.0
[M]+ 208.13187142 145.1
[M]- 208.13296858 145.1
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

No patent data available for this compound.