CID 6483880

260063-21-6

Structural Information

Molecular Formula
C7H6O4S
SMILES
C1COC2=C(SC=C2O1)C(=O)O
InChI
InChI=1S/C7H6O4S/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9)
InChIKey
DCCRIIFBJZOPAV-UHFFFAOYSA-N
Compound name
2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

52
Patents

185.99867 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.00595 134.3
[M+Na]+ 208.98789 144.6
[M+NH4]+ 204.03249 142.8
[M+K]+ 224.96183 141.0
[M-H]- 184.99139 137.5
[M+Na-2H]- 206.97334 136.5
[M]+ 185.99812 136.9
[M]- 185.99922 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe