CID 20550181

43029-06-7

Structural Information

Molecular Formula
C4H3NO3S
SMILES
C1=C(NC(=O)S1)C(=O)O
InChI
InChI=1S/C4H3NO3S/c6-3(7)2-1-9-4(8)5-2/h1H,(H,5,8)(H,6,7)
InChIKey
OPOCUNROALQOCC-UHFFFAOYSA-N
Compound name
2-oxo-3H-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

144.98337 Da
Monoisotopic Mass

0.0
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

literature stripe

Patent stripe

patents stripe