CID 67248659

4-amino-1-methylpyrazolidin-3-one

Structural Information

Molecular Formula
C4H9N3O
SMILES
CN1CC(C(=O)N1)N
InChI
InChI=1S/C4H9N3O/c1-7-2-3(5)4(8)6-7/h3H,2,5H2,1H3,(H,6,8)
InChIKey
IVZDJABHZJKQOE-UHFFFAOYSA-N
Compound name
4-amino-1-methylpyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

115.07456 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.081836 122.7
[M+Na]+ 138.063778 130.9
[M-H]- 114.067284 122.1
[M+NH4]+ 133.108383 143.4
[M+K]+ 154.037718 129.3
[M+H-H2O]+ 98.071820 116.5
[M+HCOO]- 160.072761 143.3
[M+CH3COO]- 174.088411 167.4
[M+Na-2H]- 136.049226 126.4
[M]+ 115.07401142 117.4
[M]- 115.07510858 117.4
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

patents stripe