CID 151497

Pyrazolidin-3-one hydrochloride

Structural Information

Molecular Formula
C3H6N2O
SMILES
C1CNNC1=O
InChI
InChI=1S/C3H6N2O/c6-3-1-2-4-5-3/h4H,1-2H2,(H,5,6)
InChIKey
NDGRWYRVNANFNB-UHFFFAOYSA-N
Compound name
pyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

26009
Patents

86.04801 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.055286 115.5
[M+Na]+ 109.03723 122.6
[M-H]- 85.040734 113.3
[M+NH4]+ 104.08183 136.6
[M+K]+ 125.01117 121.0
[M+H-H2O]+ 69.045270 109.4
[M+HCOO]- 131.04621 134.5
[M+CH3COO]- 145.06186 155.2
[M+Na-2H]- 107.02268 121.2
[M]+ 86.047461 108.9
[M]- 86.048559 108.9
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.