CID 54593545

3-amino-1-(1-methyl-1h-pyrazol-4-yl)piperidin-2-one

Structural Information

Molecular Formula
C9H14N4O
SMILES
CN1C=C(C=N1)N2CCCC(C2=O)N
InChI
InChI=1S/C9H14N4O/c1-12-6-7(5-11-12)13-4-2-3-8(10)9(13)14/h5-6,8H,2-4,10H2,1H3
InChIKey
PHVAKYVNJQPQSD-UHFFFAOYSA-N
Compound name
3-amino-1-(1-methylpyrazol-4-yl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11676 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12404 143.7
[M+Na]+ 217.10598 151.6
[M-H]- 193.10948 146.1
[M+NH4]+ 212.15058 160.5
[M+K]+ 233.07992 148.7
[M+H-H2O]+ 177.11402 135.1
[M+HCOO]- 239.11496 163.1
[M+CH3COO]- 253.13061 185.0
[M+Na-2H]- 215.09143 145.9
[M]+ 194.11621 139.3
[M]- 194.11731 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.