CID 123410545

51755-67-0

Structural Information

Molecular Formula
C7H14OS
SMILES
CSC1CCCC(C1)O
InChI
InChI=1S/C7H14OS/c1-9-7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3
InChIKey
DFLWDNWYHGCEPB-UHFFFAOYSA-N
Compound name
3-methylsulfanylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

146.07654 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08382 129.7
[M+Na]+ 169.06576 140.0
[M+NH4]+ 164.11036 139.5
[M+K]+ 185.03970 132.0
[M-H]- 145.06926 131.9
[M+Na-2H]- 167.05121 134.1
[M]+ 146.07599 132.1
[M]- 146.07709 132.1
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