CID 132342275

2137814-13-0

Structural Information

Molecular Formula
C6H7NO4S
SMILES
COC1=C(C(=NS1)OC)C(=O)O
InChI
InChI=1S/C6H7NO4S/c1-10-4-3(5(8)9)6(11-2)12-7-4/h1-2H3,(H,8,9)
InChIKey
OFJLLTAXRDUMJR-UHFFFAOYSA-N
Compound name
3,5-dimethoxy-1,2-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.00958 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.016856 135.5
[M+Na]+ 211.998798 145.3
[M-H]- 188.002304 137.5
[M+NH4]+ 207.043403 155.7
[M+K]+ 227.972738 144.3
[M+H-H2O]+ 172.006840 130.1
[M+HCOO]- 234.007781 153.7
[M+CH3COO]- 248.023431 176.6
[M+Na-2H]- 209.984246 136.7
[M]+ 189.00903142 141.1
[M]- 189.01012858 141.1
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.