CID 10877401

56417-51-7

Structural Information

Molecular Formula
C5H5NO3S
SMILES
COC(=O)C1=CSC(=O)N1
InChI
InChI=1S/C5H5NO3S/c1-9-4(7)3-2-10-5(8)6-3/h2H,1H3,(H,6,8)
InChIKey
GVZCXBBGXHCZTG-UHFFFAOYSA-N
Compound name
methyl 2-oxo-3H-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

158.99901 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.006286 128.6
[M+Na]+ 181.988228 138.6
[M-H]- 157.991734 130.6
[M+NH4]+ 177.032833 149.9
[M+K]+ 197.962168 136.8
[M+H-H2O]+ 141.996270 123.4
[M+HCOO]- 203.997211 147.1
[M+CH3COO]- 218.012861 168.9
[M+Na-2H]- 179.973676 130.7
[M]+ 158.99846142 131.2
[M]- 158.99955858 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

No literature data available for this compound.

Patent stripe

patents stripe