CID 60878810

2-(propan-2-ylsulfanyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C9H18OS
SMILES
CC(C)SC1CCCCC1O
InChI
InChI=1S/C9H18OS/c1-7(2)11-9-6-4-3-5-8(9)10/h7-10H,3-6H2,1-2H3
InChIKey
FWTVWXTZCDQSAU-UHFFFAOYSA-N
Compound name
2-propan-2-ylsulfanylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

174.10783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11511 138.5
[M+Na]+ 197.09705 148.1
[M+NH4]+ 192.14165 147.8
[M+K]+ 213.07099 140.5
[M-H]- 173.10055 140.4
[M+Na-2H]- 195.08250 142.1
[M]+ 174.10728 140.7
[M]- 174.10838 140.7
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

patents stripe