CID 205682

O,o-dimethylphosphonothionate of menthol

Structural Information

Molecular Formula
C12H25O3PS
SMILES
CC1CCC(C(C1)OP(=S)(OC)OC)C(C)C
InChI
InChI=1S/C12H25O3PS/c1-9(2)11-7-6-10(3)8-12(11)15-16(17,13-4)14-5/h9-12H,6-8H2,1-5H3
InChIKey
XBNXMZGGZRCJQS-UHFFFAOYSA-N
Compound name
dimethoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1262 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13348 163.6
[M+Na]+ 303.11542 171.4
[M+NH4]+ 298.16002 170.6
[M+K]+ 319.08936 165.4
[M-H]- 279.11892 163.5
[M+Na-2H]- 301.10087 165.1
[M]+ 280.12565 164.9
[M]- 280.12675 164.9
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

No patent data available for this compound.