CID 364163

Diethyl 2-oxo-3-oxepanylphosphonate

Structural Information

Molecular Formula
C10H19O5P
SMILES
CCOP(=O)(C1CCCCOC1=O)OCC
InChI
InChI=1S/C10H19O5P/c1-3-14-16(12,15-4-2)9-7-5-6-8-13-10(9)11/h9H,3-8H2,1-2H3
InChIKey
NFCOPOOIZJQDFG-UHFFFAOYSA-N
Compound name
3-diethoxyphosphoryloxepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09702 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10430 149.4
[M+Na]+ 273.08624 152.4
[M-H]- 249.08974 152.7
[M+NH4]+ 268.13084 164.5
[M+K]+ 289.06018 158.2
[M+H-H2O]+ 233.09428 142.3
[M+HCOO]- 295.09522 172.5
[M+CH3COO]- 309.11087 193.6
[M+Na-2H]- 271.07169 152.1
[M]+ 250.09647 149.8
[M]- 250.09757 149.8
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.