CID 107841990

Sodium 2-(2,5-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoate

Structural Information

Molecular Formula
C9H14N2O4
SMILES
CC(C)(C)C(C(=O)O)N1C(=O)CNC1=O
InChI
InChI=1S/C9H14N2O4/c1-9(2,3)6(7(13)14)11-5(12)4-10-8(11)15/h6H,4H2,1-3H3,(H,10,15)(H,13,14)
InChIKey
ONMSCVYUPAKSJS-UHFFFAOYSA-N
Compound name
2-(2,5-dioxoimidazolidin-1-yl)-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.09535 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.102626 147.1
[M+Na]+ 237.084568 153.8
[M-H]- 213.088074 145.4
[M+NH4]+ 232.129173 163.4
[M+K]+ 253.058508 152.4
[M+H-H2O]+ 197.092610 141.7
[M+HCOO]- 259.093551 161.7
[M+CH3COO]- 273.109201 181.8
[M+Na-2H]- 235.070016 147.4
[M]+ 214.09480142 144.7
[M]- 214.09589858 144.7
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.