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 131.1
[M+Na]+ 185.06068 139.4
[M-H]- 161.06418 136.3
[M+NH4]+ 180.10528 154.0
[M+K]+ 201.03462 141.0
[M+H-H2O]+ 145.06872 127.8
[M+HCOO]- 207.06966 147.7
[M+CH3COO]- 221.08531 174.8
[M+Na-2H]- 183.04613 135.6
[M]+ 162.07091 135.1
[M]- 162.07201 135.1
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