CID 18533045

Oxane-4-thiol

Structural Information

Molecular Formula
C5H10OS
SMILES
C1COCCC1S
InChI
InChI=1S/C5H10OS/c7-5-1-3-6-4-2-5/h5,7H,1-4H2
InChIKey
HDEOKHIQTDMWTQ-UHFFFAOYSA-N
Compound name
oxane-4-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

118.045235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05251 121.0
[M+Na]+ 141.03445 132.4
[M+NH4]+ 136.07906 131.4
[M+K]+ 157.00839 124.6
[M-H]- 117.03796 125.1
[M+Na-2H]- 139.01990 126.3
[M]+ 118.04469 124.3
[M]- 118.04578 124.3
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