CID 388179

Nsc682744

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CCC(=O)N1C(=O)C(C(=O)N1)(CC)CC
InChI
InChI=1S/C10H16N2O3/c1-4-7(13)12-9(15)10(5-2,6-3)8(14)11-12/h4-6H2,1-3H3,(H,11,14)
InChIKey
DBYAJUBDHPIZFB-UHFFFAOYSA-N
Compound name
4,4-diethyl-1-propanoylpyrazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11609 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 145.4
[M+Na]+ 235.10531 154.1
[M-H]- 211.10881 145.3
[M+NH4]+ 230.14991 165.1
[M+K]+ 251.07925 152.0
[M+H-H2O]+ 195.11335 140.3
[M+HCOO]- 257.11429 163.7
[M+CH3COO]- 271.12994 184.7
[M+Na-2H]- 233.09076 146.7
[M]+ 212.11554 145.7
[M]- 212.11664 145.7
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.