CID 202351

10160-73-3

Structural Information

Molecular Formula
C8H18OS
SMILES
CC(C(C)(C)C)OCCS
InChI
InChI=1S/C8H18OS/c1-7(8(2,3)4)9-5-6-10/h7,10H,5-6H2,1-4H3
InChIKey
BAORTNFUUYRNKI-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylbutan-2-yloxy)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.10783 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11511 137.3
[M+Na]+ 185.09705 144.0
[M-H]- 161.10055 137.9
[M+NH4]+ 180.14165 159.1
[M+K]+ 201.07099 143.6
[M+H-H2O]+ 145.10509 132.9
[M+HCOO]- 207.10603 152.8
[M+CH3COO]- 221.12168 179.7
[M+Na-2H]- 183.08250 139.3
[M]+ 162.10728 141.7
[M]- 162.10838 141.7
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

No patent data available for this compound.