CID 14792110

2-(thiolan-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H12OS
SMILES
C1CC(SC1)CCO
InChI
InChI=1S/C6H12OS/c7-4-3-6-2-1-5-8-6/h6-7H,1-5H2
InChIKey
VTGRRYHKOLPZPO-UHFFFAOYSA-N
Compound name
2-(thiolan-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

132.06088 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06816 127.8
[M+Na]+ 155.05010 134.3
[M-H]- 131.05360 129.8
[M+NH4]+ 150.09470 151.3
[M+K]+ 171.02404 132.7
[M+H-H2O]+ 115.05814 123.2
[M+HCOO]- 177.05908 144.6
[M+CH3COO]- 191.07473 166.5
[M+Na-2H]- 153.03555 129.2
[M]+ 132.06033 126.3
[M]- 132.06143 126.3
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