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

19230
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

literature stripe

Patent stripe

patents stripe