CID 27596

1,4-oxathiane

Structural Information

Molecular Formula
C4H8OS
SMILES
C1CSCCO1
InChI
InChI=1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2
InChIKey
JBYHSSAVUBIJMK-UHFFFAOYSA-N
Compound name
1,4-oxathiane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

34
References

15443
Patents

104.02959 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.03687 116.9
[M+Na]+ 127.01881 128.1
[M+NH4]+ 122.06341 127.5
[M+K]+ 142.99275 120.4
[M-H]- 103.02231 121.0
[M+Na-2H]- 125.00426 122.7
[M]+ 104.02904 120.1
[M]- 104.03014 120.1
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