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 138.9
[M+Na]+ 197.09705 143.4
[M-H]- 173.10055 140.4
[M+NH4]+ 192.14165 159.0
[M+K]+ 213.07099 141.4
[M+H-H2O]+ 157.10509 133.8
[M+HCOO]- 219.10603 151.4
[M+CH3COO]- 233.12168 177.6
[M+Na-2H]- 195.08250 138.6
[M]+ 174.10728 136.1
[M]- 174.10838 136.1
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