CID 22395729

Thiolan-2-ylmethanol

Structural Information

Molecular Formula
C5H10OS
SMILES
C1CC(SC1)CO
InChI
InChI=1S/C5H10OS/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
InChIKey
CCWMXACNCKOLEO-UHFFFAOYSA-N
Compound name
thiolan-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
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 123.0
[M+Na]+ 141.03445 132.3
[M+NH4]+ 136.07906 132.8
[M+K]+ 157.00839 126.5
[M-H]- 117.03796 124.5
[M+Na-2H]- 139.01990 126.9
[M]+ 118.04469 125.0
[M]- 118.04578 125.0
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