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]+ 188.001206 135.8
[M+Na]+ 209.983148 144.9
[M-H]- 185.986654 137.7
[M+NH4]+ 205.027753 155.8
[M+K]+ 225.957088 143.8
[M+H-H2O]+ 169.991190 130.4
[M+HCOO]- 231.992131 153.3
[M+CH3COO]- 246.007781 174.8
[M+Na-2H]- 207.968596 136.6
[M]+ 186.99338142 139.7
[M]- 186.99447858 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.