CID 59294782

2,3-dihydrothieno[3,4-b][1,4]dioxine-2-carboxylic acid

Structural Information

Molecular Formula
C7H6O4S
SMILES
C1C(OC2=CSC=C2O1)C(=O)O
InChI
InChI=1S/C7H6O4S/c8-7(9)4-1-10-5-2-12-3-6(5)11-4/h2-4H,1H2,(H,8,9)
InChIKey
CAHFWFCOAPQXBC-UHFFFAOYSA-N
Compound name
2,3-dihydrothieno[3,4-b][1,4]dioxine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

185.99867 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.005946 133.1
[M+Na]+ 208.987888 141.5
[M-H]- 184.991394 138.0
[M+NH4]+ 204.032493 153.0
[M+K]+ 224.961828 142.2
[M+H-H2O]+ 168.995930 129.3
[M+HCOO]- 230.996871 148.1
[M+CH3COO]- 245.012521 174.2
[M+Na-2H]- 206.973336 138.0
[M]+ 185.99812142 135.7
[M]- 185.99921858 135.7
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