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

12
Patents

158.99901 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.00629 128.6
[M+Na]+ 181.98823 138.6
[M-H]- 157.99173 130.6
[M+NH4]+ 177.03283 149.9
[M+K]+ 197.96217 136.8
[M+H-H2O]+ 141.99627 123.4
[M+HCOO]- 203.99721 147.1
[M+CH3COO]- 218.01286 168.9
[M+Na-2H]- 179.97368 130.7
[M]+ 158.99846 131.2
[M]- 158.99956 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