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 156.4
[M+Na]+ 253.15966 160.5
[M-H]- 229.16316 158.9
[M+NH4]+ 248.20426 175.3
[M+K]+ 269.13360 158.4
[M+H-H2O]+ 213.16770 150.8
[M+HCOO]- 275.16864 168.8
[M+CH3COO]- 289.18429 191.2
[M+Na-2H]- 251.14511 156.4
[M]+ 230.16989 157.0
[M]- 230.17099 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.