CID 204825

Brn 2995765

Structural Information

Molecular Formula
C11H12N2O4S
SMILES
CC1(C(=O)N(C(=O)N1)CCC(=O)O)C2=CC=CS2
InChI
InChI=1S/C11H12N2O4S/c1-11(7-3-2-6-18-7)9(16)13(10(17)12-11)5-4-8(14)15/h2-3,6H,4-5H2,1H3,(H,12,17)(H,14,15)
InChIKey
KZWIDQYKPGBHPN-UHFFFAOYSA-N
Compound name
3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0518 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.059076 158.1
[M+Na]+ 291.041018 166.9
[M-H]- 267.044524 160.5
[M+NH4]+ 286.085623 176.6
[M+K]+ 307.014958 163.4
[M+H-H2O]+ 251.049060 153.2
[M+HCOO]- 313.050001 172.0
[M+CH3COO]- 327.065651 187.8
[M+Na-2H]- 289.026466 155.7
[M]+ 268.05125142 159.4
[M]- 268.05234858 159.4
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.