CID 2763565

57677-80-2

Structural Information

Molecular Formula
C11H9NO3S
SMILES
COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C11H9NO3S/c1-15-8-4-2-7(3-5-8)10-12-9(6-16-10)11(13)14/h2-6H,1H3,(H,13,14)
InChIKey
OIBLFOXWCGIRIQ-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

235.03032 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.03760 148.9
[M+Na]+ 258.01954 158.4
[M-H]- 234.02304 154.2
[M+NH4]+ 253.06414 167.2
[M+K]+ 273.99348 155.1
[M+H-H2O]+ 218.02758 142.5
[M+HCOO]- 280.02852 167.2
[M+CH3COO]- 294.04417 185.1
[M+Na-2H]- 256.00499 150.1
[M]+ 235.02977 152.6
[M]- 235.03087 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe