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: 29
Patents: 235.03032 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.03760	149.9
[M+Na]+	258.01954	162.1
[M+NH4]+	253.06414	157.7
[M+K]+	273.99348	156.5
[M-H]-	234.02304	152.1
[M+Na-2H]-	256.00499	156.2
[M]+	235.02977	152.6
[M]-	235.03087	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe