CID 71755411

2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C7H9NO3S
SMILES
CC(C1=NC=C(S1)C(=O)O)OC
InChI
InChI=1S/C7H9NO3S/c1-4(11-2)6-8-3-5(12-6)7(9)10/h3-4H,1-2H3,(H,9,10)
InChIKey
MCGPYPCNQMMCHY-UHFFFAOYSA-N
Compound name
2-(1-methoxyethyl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

187.03032 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 139.4
[M+Na]+ 210.01954 148.5
[M+NH4]+ 205.06414 146.4
[M+K]+ 225.99348 144.9
[M-H]- 186.02304 138.5
[M+Na-2H]- 208.00499 142.1
[M]+ 187.02977 140.5
[M]- 187.03087 140.5
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