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]+ 187.07134 136.6
[M+Na]+ 209.05328 145.4
[M-H]- 185.05678 136.6
[M+NH4]+ 204.09788 155.0
[M+K]+ 225.02722 144.3
[M+H-H2O]+ 169.06132 130.6
[M+HCOO]- 231.06226 155.9
[M+CH3COO]- 245.07791 179.0
[M+Na-2H]- 207.03873 137.9
[M]+ 186.06351 136.9
[M]- 186.06461 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.