CID 3051640

Brn 2260561

Structural Information

Molecular Formula
C7H14NO2PS
SMILES
CCC12CN(P(=S)(OC1)OC2)C
InChI
InChI=1S/C7H14NO2PS/c1-3-7-4-8(2)11(12,9-5-7)10-6-7/h3-6H2,1-2H3
InChIKey
VYFIMAAMUSMREV-UHFFFAOYSA-N
Compound name
4-ethyl-7-methyl-1-sulfanylidene-2,6-dioxa-7-aza-1lambda5-phosphabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0483 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05558 143.6
[M+Na]+ 230.03752 153.3
[M+NH4]+ 225.08212 156.4
[M+K]+ 246.01146 142.2
[M-H]- 206.04102 143.3
[M+Na-2H]- 228.02297 143.0
[M]+ 207.04775 145.7
[M]- 207.04885 145.7
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.