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]+ 236.03760 148.8
[M+Na]+ 258.01954 158.7
[M-H]- 234.02304 153.0
[M+NH4]+ 253.06414 166.7
[M+K]+ 273.99348 154.5
[M+H-H2O]+ 218.02758 143.0
[M+HCOO]- 280.02852 165.5
[M+CH3COO]- 294.04417 183.9
[M+Na-2H]- 256.00499 148.9
[M]+ 235.02977 151.1
[M]- 235.03087 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.