CID 121553070

1909309-55-2

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]+ 216.032496 142.1
[M+Na]+ 238.014438 150.9
[M-H]- 214.017944 148.3
[M+NH4]+ 233.059043 162.0
[M+K]+ 253.988378 151.9
[M+H-H2O]+ 198.022480 138.3
[M+HCOO]- 260.023421 157.9
[M+CH3COO]- 274.039071 178.0
[M+Na-2H]- 235.999886 144.3
[M]+ 215.02467142 145.3
[M]- 215.02576858 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.