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

22
Patents

115.07456 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.08184 122.7
[M+Na]+ 138.06378 130.9
[M-H]- 114.06728 122.1
[M+NH4]+ 133.10838 143.4
[M+K]+ 154.03772 129.3
[M+H-H2O]+ 98.071820 116.5
[M+HCOO]- 160.07276 143.3
[M+CH3COO]- 174.08841 167.4
[M+Na-2H]- 136.04923 126.4
[M]+ 115.07401 117.4
[M]- 115.07511 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