CID 20189652

2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethane-1-thiol

Structural Information

Molecular Formula
C7H14O2S
SMILES
CC1(OCC(O1)CCS)C
InChI
InChI=1S/C7H14O2S/c1-7(2)8-5-6(9-7)3-4-10/h6,10H,3-5H2,1-2H3
InChIKey
ZJDSPHKKVAACOQ-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

162.07146 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07874 133.7
[M+Na]+ 185.06068 143.9
[M+NH4]+ 180.10528 144.2
[M+K]+ 201.03462 137.1
[M-H]- 161.06418 137.6
[M+Na-2H]- 183.04613 137.9
[M]+ 162.07091 136.9
[M]- 162.07201 136.9
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