CID 212708

24699-80-7

Structural Information

Molecular Formula
C13H26OS
SMILES
CC(C)(C)C1CCC(CC1)OCCCS
InChI
InChI=1S/C13H26OS/c1-13(2,3)11-5-7-12(8-6-11)14-9-4-10-15/h11-12,15H,4-10H2,1-3H3
InChIKey
XDUJOSHCSMFIPL-UHFFFAOYSA-N
Compound name
3-(4-tert-butylcyclohexyl)oxypropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.17044 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17772 156.9
[M+Na]+ 253.15966 166.3
[M+NH4]+ 248.20426 165.9
[M+K]+ 269.13360 157.8
[M-H]- 229.16316 158.7
[M+Na-2H]- 251.14511 160.4
[M]+ 230.16989 159.3
[M]- 230.17099 159.3
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

No patent data available for this compound.