CID 71756616

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

Structural Information

Molecular Formula
C8H12N2O4
SMILES
CC1(C(=O)NC(=O)N1)CCCC(=O)O
InChI
InChI=1S/C8H12N2O4/c1-8(4-2-3-5(11)12)6(13)9-7(14)10-8/h2-4H2,1H3,(H,11,12)(H2,9,10,13,14)
InChIKey
UUJXWVUCKZJSNR-UHFFFAOYSA-N
Compound name
4-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.07971 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08699 142.3
[M+Na]+ 223.06893 149.7
[M-H]- 199.07243 139.2
[M+NH4]+ 218.11353 160.4
[M+K]+ 239.04287 146.9
[M+H-H2O]+ 183.07697 137.3
[M+HCOO]- 245.07791 158.2
[M+CH3COO]- 259.09356 175.4
[M+Na-2H]- 221.05438 144.1
[M]+ 200.07916 139.2
[M]- 200.08026 139.2
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.