CID 28824107

3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoic acid

Structural Information

Molecular Formula
C7H10N2O4
SMILES
CN1CC(=O)N(C1=O)CCC(=O)O
InChI
InChI=1S/C7H10N2O4/c1-8-4-5(10)9(7(8)13)3-2-6(11)12/h2-4H2,1H3,(H,11,12)
InChIKey
LHQJVGXZLPAINN-UHFFFAOYSA-N
Compound name
3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.06406 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.071336 136.6
[M+Na]+ 209.053278 145.4
[M-H]- 185.056784 136.6
[M+NH4]+ 204.097883 155.0
[M+K]+ 225.027218 144.3
[M+H-H2O]+ 169.061320 130.6
[M+HCOO]- 231.062261 155.9
[M+CH3COO]- 245.077911 179.0
[M+Na-2H]- 207.038726 137.9
[M]+ 186.06351142 136.9
[M]- 186.06460858 136.9
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.