CID 3049717

(+)-cyclopentyl s-methyl methylphosphonothioate

Structural Information

Molecular Formula
C7H15O2PS
SMILES
CP(=O)(OC1CCCC1)SC
InChI
InChI=1S/C7H15O2PS/c1-10(8,11-2)9-7-5-3-4-6-7/h7H,3-6H2,1-2H3
InChIKey
UHWFSEMGAIUKIM-UHFFFAOYSA-N
Compound name
[methyl(methylsulfanyl)phosphoryl]oxycyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.05304 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06032 141.9
[M+Na]+ 217.04226 148.2
[M-H]- 193.04576 144.1
[M+NH4]+ 212.08686 164.2
[M+K]+ 233.01620 147.5
[M+H-H2O]+ 177.05030 134.7
[M+HCOO]- 239.05124 164.3
[M+CH3COO]- 253.06689 180.5
[M+Na-2H]- 215.02771 140.9
[M]+ 194.05249 144.2
[M]- 194.05359 144.2
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.