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 142.1
[M+Na]+ 238.01444 150.9
[M-H]- 214.01794 148.3
[M+NH4]+ 233.05904 162.0
[M+K]+ 253.98838 151.9
[M+H-H2O]+ 198.02248 138.3
[M+HCOO]- 260.02342 157.9
[M+CH3COO]- 274.03907 178.0
[M+Na-2H]- 235.99989 144.3
[M]+ 215.02467 145.3
[M]- 215.02577 145.3
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.