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 138.5
[M+Na]+ 230.03752 145.1
[M-H]- 206.04102 134.3
[M+NH4]+ 225.08212 163.0
[M+K]+ 246.01146 146.5
[M+H-H2O]+ 190.04556 131.7
[M+HCOO]- 252.04650 149.3
[M+CH3COO]- 266.06215 149.8
[M+Na-2H]- 228.02297 148.7
[M]+ 207.04775 145.0
[M]- 207.04885 145.0
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.