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]+ 231.177716 156.4
[M+Na]+ 253.159658 160.5
[M-H]- 229.163164 158.9
[M+NH4]+ 248.204263 175.3
[M+K]+ 269.133598 158.4
[M+H-H2O]+ 213.167700 150.8
[M+HCOO]- 275.168641 168.8
[M+CH3COO]- 289.184291 191.2
[M+Na-2H]- 251.145106 156.4
[M]+ 230.16989142 157.0
[M]- 230.17098858 157.0
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.