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]+ 175.115106 138.9
[M+Na]+ 197.097048 143.4
[M-H]- 173.100554 140.4
[M+NH4]+ 192.141653 159.0
[M+K]+ 213.070988 141.4
[M+H-H2O]+ 157.105090 133.8
[M+HCOO]- 219.106031 151.4
[M+CH3COO]- 233.121681 177.6
[M+Na-2H]- 195.082496 138.6
[M]+ 174.10728142 136.1
[M]- 174.10837858 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