CID 151497

3-pyrazolidinone 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

15775
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 115.8
[M+Na]+ 109.03723 125.0
[M+NH4]+ 104.08183 123.3
[M+K]+ 125.01117 122.5
[M-H]- 85.040734 114.5
[M+Na-2H]- 107.02268 119.5
[M]+ 86.047461 116.2
[M]- 86.048559 116.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe