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

208
Patents

118.045235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.052511 120.2
[M+Na]+ 141.034453 126.5
[M-H]- 117.037959 124.3
[M+NH4]+ 136.079058 141.9
[M+K]+ 157.008393 127.1
[M+H-H2O]+ 101.042495 115.4
[M+HCOO]- 163.043436 136.0
[M+CH3COO]- 177.059086 166.2
[M+Na-2H]- 139.019901 125.2
[M]+ 118.04468642 118.6
[M]- 118.04578358 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