CID 19885484

2-ethoxy-4-methyl-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C7H9NO3S
SMILES
CCOC1=NC(=C(S1)C(=O)O)C
InChI
InChI=1S/C7H9NO3S/c1-3-11-7-8-4(2)5(12-7)6(9)10/h3H2,1-2H3,(H,9,10)
InChIKey
MAHSJHUBTQGPIC-UHFFFAOYSA-N
Compound name
2-ethoxy-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

187.03032 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 137.0
[M+Na]+ 210.01954 146.7
[M-H]- 186.02304 139.0
[M+NH4]+ 205.06414 157.5
[M+K]+ 225.99348 144.9
[M+H-H2O]+ 170.02758 131.7
[M+HCOO]- 232.02852 154.7
[M+CH3COO]- 246.04417 177.5
[M+Na-2H]- 208.00499 137.6
[M]+ 187.02977 141.6
[M]- 187.03087 141.6
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