CID 511674

O-cyclohexyl 2-methoxyethoxymethylsulfanylmethanethioate

Structural Information

Molecular Formula
C11H20O3S2
SMILES
COCCOCSC(=S)OC1CCCCC1
InChI
InChI=1S/C11H20O3S2/c1-12-7-8-13-9-16-11(15)14-10-5-3-2-4-6-10/h10H,2-9H2,1H3
InChIKey
VINKRGQVGVLGJQ-UHFFFAOYSA-N
Compound name
O-cyclohexyl 2-methoxyethoxymethylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09268 158.9
[M+Na]+ 287.07462 162.1
[M-H]- 263.07812 160.5
[M+NH4]+ 282.11922 175.7
[M+K]+ 303.04856 159.3
[M+H-H2O]+ 247.08266 152.4
[M+HCOO]- 309.08360 167.3
[M+CH3COO]- 323.09925 191.6
[M+Na-2H]- 285.06007 157.1
[M]+ 264.08485 161.0
[M]- 264.08595 161.0
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

No patent data available for this compound.