CID 18533045

Tetrahydro-2h-pyran-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

202
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 120.2
[M+Na]+ 141.03445 126.5
[M-H]- 117.03796 124.3
[M+NH4]+ 136.07906 141.9
[M+K]+ 157.00839 127.1
[M+H-H2O]+ 101.04250 115.4
[M+HCOO]- 163.04344 136.0
[M+CH3COO]- 177.05909 166.2
[M+Na-2H]- 139.01990 125.2
[M]+ 118.04469 118.6
[M]- 118.04578 118.6
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