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]+ 201.08699 141.2
[M+Na]+ 223.06893 149.5
[M-H]- 199.07243 140.9
[M+NH4]+ 218.11353 159.0
[M+K]+ 239.04287 148.2
[M+H-H2O]+ 183.07697 135.0
[M+HCOO]- 245.07791 160.1
[M+CH3COO]- 259.09356 182.0
[M+Na-2H]- 221.05438 142.0
[M]+ 200.07916 141.9
[M]- 200.08026 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.