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

1
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 144.2
[M+Na]+ 223.06893 152.4
[M+NH4]+ 218.11353 148.8
[M+K]+ 239.04287 151.3
[M-H]- 199.07243 141.1
[M+Na-2H]- 221.05438 144.6
[M]+ 200.07916 143.8
[M]- 200.08026 143.8
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