CID 576296

Tetrahydro-2h-thiopyran-4-ol

Structural Information

Molecular Formula
C5H10OS
SMILES
C1CSCCC1O
InChI
InChI=1S/C5H10OS/c6-5-1-3-7-4-2-5/h5-6H,1-4H2
InChIKey
YODQQARABJQLIP-UHFFFAOYSA-N
Compound name
thian-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

830
Patents

118.045235 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05251 121.2
[M+Na]+ 141.03445 131.6
[M+NH4]+ 136.07906 131.3
[M+K]+ 157.00839 123.9
[M-H]- 117.03796 123.4
[M+Na-2H]- 139.01990 126.3
[M]+ 118.04469 123.6
[M]- 118.04578 123.6
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