CID 3501226

714-71-6

Structural Information

Molecular Formula
C9H14N2O4
SMILES
CCC1(C(=O)N(C(=O)N1)CC(=O)O)CC
InChI
InChI=1S/C9H14N2O4/c1-3-9(4-2)7(14)11(5-6(12)13)8(15)10-9/h3-5H2,1-2H3,(H,10,15)(H,12,13)
InChIKey
BKCYHQOVVIWYSH-UHFFFAOYSA-N
Compound name
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.09535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.102626 144.5
[M+Na]+ 237.084568 152.9
[M-H]- 213.088074 143.1
[M+NH4]+ 232.129173 163.1
[M+K]+ 253.058508 150.7
[M+H-H2O]+ 197.092610 139.6
[M+HCOO]- 259.093551 161.7
[M+CH3COO]- 273.109201 182.1
[M+Na-2H]- 235.070016 145.9
[M]+ 214.09480142 144.1
[M]- 214.09589858 144.1
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.