CID 117218321

1891274-16-0

Structural Information

Molecular Formula
C6H5NO4S
SMILES
COC(=O)C1=CC(=NS1)C(=O)O
InChI
InChI=1S/C6H5NO4S/c1-11-6(10)4-2-3(5(8)9)7-12-4/h2H,1H3,(H,8,9)
InChIKey
UHLLTSXSWXNRNY-UHFFFAOYSA-N
Compound name
5-methoxycarbonyl-1,2-thiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.99393 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.00121 135.8
[M+Na]+ 209.98315 144.9
[M-H]- 185.98665 137.7
[M+NH4]+ 205.02775 155.8
[M+K]+ 225.95709 143.8
[M+H-H2O]+ 169.99119 130.4
[M+HCOO]- 231.99213 153.3
[M+CH3COO]- 246.00778 174.8
[M+Na-2H]- 207.96860 136.6
[M]+ 186.99338 139.7
[M]- 186.99448 139.7
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

No patent data available for this compound.