CID 266158

6214-15-9

Structural Information

Molecular Formula
C4H6O3S
SMILES
C1C=CCOS(=O)O1
InChI
InChI=1S/C4H6O3S/c5-8-6-3-1-2-4-7-8/h1-2H,3-4H2
InChIKey
QAOSUJVCSVOSEU-UHFFFAOYSA-N
Compound name
4,7-dihydro-1,3,2-dioxathiepine 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

134.00377 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.01105 124.3
[M+Na]+ 156.99299 134.0
[M+NH4]+ 152.03759 132.3
[M+K]+ 172.96693 129.5
[M-H]- 132.99649 128.0
[M+Na-2H]- 154.97844 128.8
[M]+ 134.00322 127.1
[M]- 134.00432 127.1
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

patents stripe