CID 80687088

4-chloro-2-(dimethylamino)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C6H7ClN2O2S
SMILES
CN(C)C1=NC(=C(S1)C(=O)O)Cl
InChI
InChI=1S/C6H7ClN2O2S/c1-9(2)6-8-4(7)3(12-6)5(10)11/h1-2H3,(H,10,11)
InChIKey
DUDVJEMJQSWUCT-UHFFFAOYSA-N
Compound name
4-chloro-2-(dimethylamino)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.99167 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.998946 139.4
[M+Na]+ 228.980888 149.3
[M-H]- 204.984394 142.9
[M+NH4]+ 224.025493 160.2
[M+K]+ 244.954828 146.8
[M+H-H2O]+ 188.988930 134.5
[M+HCOO]- 250.989871 154.0
[M+CH3COO]- 265.005521 184.6
[M+Na-2H]- 226.966336 139.8
[M]+ 205.99112142 144.3
[M]- 205.99221858 144.3
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.