CID 54595667

3-amino-1-(1-methyl-1h-pyrazol-3-yl)piperidin-2-one

Structural Information

Molecular Formula
C9H14N4O
SMILES
CN1C=CC(=N1)N2CCCC(C2=O)N
InChI
InChI=1S/C9H14N4O/c1-12-6-4-8(11-12)13-5-2-3-7(10)9(13)14/h4,6-7H,2-3,5,10H2,1H3
InChIKey
GXVJMKKKYNEMNA-UHFFFAOYSA-N
Compound name
3-amino-1-(1-methylpyrazol-3-yl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11676 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.124036 143.7
[M+Na]+ 217.105978 151.6
[M-H]- 193.109484 146.1
[M+NH4]+ 212.150583 160.5
[M+K]+ 233.079918 148.7
[M+H-H2O]+ 177.114020 135.1
[M+HCOO]- 239.114961 163.1
[M+CH3COO]- 253.130611 185.0
[M+Na-2H]- 215.091426 145.9
[M]+ 194.11621142 139.3
[M]- 194.11730858 139.3
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.