CID 1384490

2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetic acid

Structural Information

Molecular Formula
C5H3NO4S
SMILES
C(=C1C(=O)NC(=O)S1)C(=O)O
InChI
InChI=1S/C5H3NO4S/c7-3(8)1-2-4(9)6-5(10)11-2/h1H,(H,7,8)(H,6,9,10)
InChIKey
GZMAUGAAAMRIDY-UHFFFAOYSA-N
Compound name
2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

172.97827 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.98555 132.9
[M+Na]+ 195.96749 141.5
[M-H]- 171.97099 132.9
[M+NH4]+ 191.01209 152.6
[M+K]+ 211.94143 138.5
[M+H-H2O]+ 155.97553 128.2
[M+HCOO]- 217.97647 147.5
[M+CH3COO]- 231.99212 168.7
[M+Na-2H]- 193.95294 132.2
[M]+ 172.97772 131.2
[M]- 172.97882 131.2
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