CID 53407501

1257444-26-0

Structural Information

Molecular Formula
C4H3NO3S
SMILES
C1=C(SNC1=O)C(=O)O
InChI
InChI=1S/C4H3NO3S/c6-3-1-2(4(7)8)9-5-3/h1H,(H,5,6)(H,7,8)
InChIKey
DJMBQQBASUEMTK-UHFFFAOYSA-N
Compound name
3-oxo-1,2-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

144.98337 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.99065 124.5
[M+Na]+ 167.97259 134.4
[M-H]- 143.97609 125.2
[M+NH4]+ 163.01719 145.6
[M+K]+ 183.94653 131.8
[M+H-H2O]+ 127.98063 119.6
[M+HCOO]- 189.98157 141.8
[M+CH3COO]- 203.99722 164.0
[M+Na-2H]- 165.95804 126.6
[M]+ 144.98282 125.0
[M]- 144.98392 125.0
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