CID 121553070

2-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H9NO4S
SMILES
CC1(OCCO1)C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C8H9NO4S/c1-8(12-2-3-13-8)7-9-4-5(14-7)6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKey
JCQYKYMSPOLQOP-UHFFFAOYSA-N
Compound name
2-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.02522 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03250 143.5
[M+Na]+ 238.01444 152.5
[M+NH4]+ 233.05904 152.0
[M+K]+ 253.98838 149.7
[M-H]- 214.01794 146.5
[M+Na-2H]- 235.99989 147.5
[M]+ 215.02467 146.0
[M]- 215.02577 146.0
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

No patent data available for this compound.