CID 2760644

2-o-tolylamino-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
CC1=CC=CC=C1NC2=NC(=CS2)C(=O)O
InChI
InChI=1S/C11H10N2O2S/c1-7-4-2-3-5-8(7)12-11-13-9(6-16-11)10(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey
IUQPXTTVIWXDBO-UHFFFAOYSA-N
Compound name
2-(2-methylanilino)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

234.0463 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.053576 149.3
[M+Na]+ 257.035518 158.0
[M-H]- 233.039024 154.4
[M+NH4]+ 252.080123 167.3
[M+K]+ 273.009458 153.9
[M+H-H2O]+ 217.043560 142.5
[M+HCOO]- 279.044501 168.2
[M+CH3COO]- 293.060151 188.0
[M+Na-2H]- 255.020966 151.0
[M]+ 234.04575142 150.8
[M]- 234.04684858 150.8
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