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]+ 206.99895 139.4
[M+Na]+ 228.98089 149.3
[M-H]- 204.98439 142.9
[M+NH4]+ 224.02549 160.2
[M+K]+ 244.95483 146.8
[M+H-H2O]+ 188.98893 134.5
[M+HCOO]- 250.98987 154.0
[M+CH3COO]- 265.00552 184.6
[M+Na-2H]- 226.96634 139.8
[M]+ 205.99112 144.3
[M]- 205.99222 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.