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]+ 215.10263 147.1
[M+Na]+ 237.08457 153.8
[M-H]- 213.08807 145.4
[M+NH4]+ 232.12917 163.4
[M+K]+ 253.05851 152.4
[M+H-H2O]+ 197.09261 141.7
[M+HCOO]- 259.09355 161.7
[M+CH3COO]- 273.10920 181.8
[M+Na-2H]- 235.07002 147.4
[M]+ 214.09480 144.7
[M]- 214.09590 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.