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]+ 190.01686 135.5
[M+Na]+ 211.99880 145.3
[M-H]- 188.00230 137.5
[M+NH4]+ 207.04340 155.7
[M+K]+ 227.97274 144.3
[M+H-H2O]+ 172.00684 130.1
[M+HCOO]- 234.00778 153.7
[M+CH3COO]- 248.02343 176.6
[M+Na-2H]- 209.98425 136.7
[M]+ 189.00903 141.1
[M]- 189.01013 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.