CID 170915094

Potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate

Structural Information

Molecular Formula
C7H9NO3S
SMILES
CC(C)(C1=CN=C(S1)C(=O)O)O
InChI
InChI=1S/C7H9NO3S/c1-7(2,11)4-3-8-5(12-4)6(9)10/h3,11H,1-2H3,(H,9,10)
InChIKey
PHUHHRAPSMZJJT-UHFFFAOYSA-N
Compound name
5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.03032 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.037596 139.1
[M+Na]+ 210.019538 147.7
[M-H]- 186.023044 139.5
[M+NH4]+ 205.064143 158.6
[M+K]+ 225.993478 145.6
[M+H-H2O]+ 170.027580 134.3
[M+HCOO]- 232.028521 153.8
[M+CH3COO]- 246.044171 174.1
[M+Na-2H]- 208.004986 140.7
[M]+ 187.02977142 140.9
[M]- 187.03086858 140.9
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.