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]+ 201.086986 142.3
[M+Na]+ 223.068928 149.7
[M-H]- 199.072434 139.2
[M+NH4]+ 218.113533 160.4
[M+K]+ 239.042868 146.9
[M+H-H2O]+ 183.076970 137.3
[M+HCOO]- 245.077911 158.2
[M+CH3COO]- 259.093561 175.4
[M+Na-2H]- 221.054376 144.1
[M]+ 200.07916142 139.2
[M]- 200.08025858 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

patents stripe