CID 165912475

2-[3-(1,2-oxazol-3-yl)-1,1-dioxo-1lambda6-thietan-3-yl]acetic acid

Structural Information

Molecular Formula
C8H9NO5S
SMILES
C1C(CS1(=O)=O)(CC(=O)O)C2=NOC=C2
InChI
InChI=1S/C8H9NO5S/c10-7(11)3-8(4-15(12,13)5-8)6-1-2-14-9-6/h1-2H,3-5H2,(H,10,11)
InChIKey
CONNGCUWIFJCGS-UHFFFAOYSA-N
Compound name
2-[3-(1,2-oxazol-3-yl)-1,1-dioxothietan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.02014 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02742 143.3
[M+Na]+ 254.00936 147.7
[M+NH4]+ 249.05396 147.8
[M+K]+ 269.98330 143.7
[M-H]- 230.01286 141.0
[M+Na-2H]- 251.99481 146.9
[M]+ 231.01959 142.5
[M]- 231.02069 142.5
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.