CID 1580508

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

Structural Information

Molecular Formula
C5H3NO4S
SMILES
C(=C\1/C(=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)/b2-1-
InChIKey
GZMAUGAAAMRIDY-UPHRSURJSA-N
Compound name
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
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 136.5
[M+Na]+ 195.96749 144.0
[M+NH4]+ 191.01209 142.0
[M+K]+ 211.94143 141.1
[M-H]- 171.97099 133.7
[M+Na-2H]- 193.95294 136.6
[M]+ 172.97772 136.5
[M]- 172.97882 136.5
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