CID 6452258

50807-41-5

Structural Information

Molecular Formula
C11H16N2O6
SMILES
CC1(C(=O)N(C(=O)N1CCC(=O)O)CCC(=O)O)C
InChI
InChI=1S/C11H16N2O6/c1-11(2)9(18)12(5-3-7(14)15)10(19)13(11)6-4-8(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKey
LQGSKDNLLJIRAI-UHFFFAOYSA-N
Compound name
3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

272.10083 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.108106 155.0
[M+Na]+ 295.090048 163.0
[M-H]- 271.093554 153.6
[M+NH4]+ 290.134653 171.1
[M+K]+ 311.063988 161.6
[M+H-H2O]+ 255.098090 150.2
[M+HCOO]- 317.099031 171.1
[M+CH3COO]- 331.114681 194.0
[M+Na-2H]- 293.075496 154.2
[M]+ 272.10028142 157.3
[M]- 272.10137858 157.3
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.