CID 4962436

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid

Structural Information

Molecular Formula
C8H12N2O4
SMILES
CN1CC(=O)N(C1=O)CCCC(=O)O
InChI
InChI=1S/C8H12N2O4/c1-9-5-6(11)10(8(9)14)4-2-3-7(12)13/h2-5H2,1H3,(H,12,13)
InChIKey
DVKKZPQUYUHBNN-UHFFFAOYSA-N
Compound name
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

200.07971 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.086986 141.2
[M+Na]+ 223.068928 149.5
[M-H]- 199.072434 140.9
[M+NH4]+ 218.113533 159.0
[M+K]+ 239.042868 148.2
[M+H-H2O]+ 183.076970 135.0
[M+HCOO]- 245.077911 160.1
[M+CH3COO]- 259.093561 182.0
[M+Na-2H]- 221.054376 142.0
[M]+ 200.07916142 141.9
[M]- 200.08025858 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe