CID 83293403

1510664-05-7

Structural Information

Molecular Formula
C11H9NO3S
SMILES
CC1=NC(=C(S1)C2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C11H9NO3S/c1-6-12-9(11(14)15)10(16-6)7-2-4-8(13)5-3-7/h2-5,13H,1H3,(H,14,15)
InChIKey
YUCZXHCAVHWMTL-UHFFFAOYSA-N
Compound name
5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.03032 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.037596 148.8
[M+Na]+ 258.019538 158.7
[M-H]- 234.023044 153.0
[M+NH4]+ 253.064143 166.7
[M+K]+ 273.993478 154.5
[M+H-H2O]+ 218.027580 143.0
[M+HCOO]- 280.028521 165.5
[M+CH3COO]- 294.044171 183.9
[M+Na-2H]- 256.004986 148.9
[M]+ 235.02977142 151.1
[M]- 235.03086858 151.1
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.