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]+ 147.08382 129.8
[M+Na]+ 169.06576 135.5
[M-H]- 145.06926 131.7
[M+NH4]+ 164.11036 151.1
[M+K]+ 185.03970 133.5
[M+H-H2O]+ 129.07380 125.0
[M+HCOO]- 191.07474 144.0
[M+CH3COO]- 205.09039 170.8
[M+Na-2H]- 167.05121 131.6
[M]+ 146.07599 126.9
[M]- 146.07709 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