CID 316781

2-methylsulfanylcyclohexan-1-ol

Structural Information

Molecular Formula
C7H14OS
SMILES
CSC1CCCCC1O
InChI
InChI=1S/C7H14OS/c1-9-7-5-3-2-4-6(7)8/h6-8H,2-5H2,1H3
InChIKey
GCZNMCLRWMSTKN-UHFFFAOYSA-N
Compound name
2-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]+ 147.083816 129.8
[M+Na]+ 169.065758 135.5
[M-H]- 145.069264 131.7
[M+NH4]+ 164.110363 151.1
[M+K]+ 185.039698 133.5
[M+H-H2O]+ 129.073800 125.0
[M+HCOO]- 191.074741 144.0
[M+CH3COO]- 205.090391 170.8
[M+Na-2H]- 167.051206 131.6
[M]+ 146.07599142 126.9
[M]- 146.07708858 126.9
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