CID 136183501

Thiazole derivative 1

Structural Information

Molecular Formula
C10H7NO4S
SMILES
C1=CC(=C(C=C1O)O)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C10H7NO4S/c12-5-1-2-6(8(13)3-5)9-11-7(4-16-9)10(14)15/h1-4,12-13H,(H,14,15)
InChIKey
ANYJSBBMNGTYRM-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

237.00958 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.016856 147.8
[M+Na]+ 259.998798 157.3
[M-H]- 236.002304 150.6
[M+NH4]+ 255.043403 164.6
[M+K]+ 275.972738 153.1
[M+H-H2O]+ 220.006840 142.1
[M+HCOO]- 282.007781 163.4
[M+CH3COO]- 296.023431 180.8
[M+Na-2H]- 257.984246 148.1
[M]+ 237.00903142 149.2
[M]- 237.01012858 149.2
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