CID 112488695

6-(3,5-dimethyl-1h-pyrazol-4-yl)piperidin-2-one

Structural Information

Molecular Formula
C10H15N3O
SMILES
CC1=C(C(=NN1)C)C2CCCC(=O)N2
InChI
InChI=1S/C10H15N3O/c1-6-10(7(2)13-12-6)8-4-3-5-9(14)11-8/h8H,3-5H2,1-2H3,(H,11,14)(H,12,13)
InChIKey
GKYFQDYHMOONMD-UHFFFAOYSA-N
Compound name
6-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.1215 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.128776 145.7
[M+Na]+ 216.110718 153.1
[M-H]- 192.114224 145.6
[M+NH4]+ 211.155323 161.7
[M+K]+ 232.084658 148.7
[M+H-H2O]+ 176.118760 137.8
[M+HCOO]- 238.119701 161.2
[M+CH3COO]- 252.135351 178.7
[M+Na-2H]- 214.096166 146.8
[M]+ 193.12095142 139.5
[M]- 193.12204858 139.5
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

No patent data available for this compound.