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]+ 238.01686 147.8
[M+Na]+ 259.99880 157.3
[M-H]- 236.00230 150.6
[M+NH4]+ 255.04340 164.6
[M+K]+ 275.97274 153.1
[M+H-H2O]+ 220.00684 142.1
[M+HCOO]- 282.00778 163.4
[M+CH3COO]- 296.02343 180.8
[M+Na-2H]- 257.98425 148.1
[M]+ 237.00903 149.2
[M]- 237.01013 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