CID 13835292

113366-46-4

Structural Information

Molecular Formula
C7H9NO2S
SMILES
CCC1=NC(=C(S1)C(=O)O)C
InChI
InChI=1S/C7H9NO2S/c1-3-5-8-4(2)6(11-5)7(9)10/h3H2,1-2H3,(H,9,10)
InChIKey
RIJXYOPYBANALA-UHFFFAOYSA-N
Compound name
2-ethyl-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

171.0354 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04268 136.3
[M+Na]+ 194.02462 146.7
[M+NH4]+ 189.06922 144.1
[M+K]+ 209.99856 141.9
[M-H]- 170.02812 136.3
[M+Na-2H]- 192.01007 139.6
[M]+ 171.03485 138.0
[M]- 171.03595 138.0
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