CID 82071

Diethyl (2,2-diethoxyethyl)phosphonate

Structural Information

Molecular Formula
C10H23O5P
SMILES
CCOC(CP(=O)(OCC)OCC)OCC
InChI
InChI=1S/C10H23O5P/c1-5-12-10(13-6-2)9-16(11,14-7-3)15-8-4/h10H,5-9H2,1-4H3
InChIKey
LUQYELQXRPNKRY-UHFFFAOYSA-N
Compound name
2-diethoxyphosphoryl-1,1-diethoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

182
Patents

254.12831 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13559 162.1
[M+Na]+ 277.11753 167.5
[M-H]- 253.12103 160.6
[M+NH4]+ 272.16213 179.9
[M+K]+ 293.09147 168.7
[M+H-H2O]+ 237.12557 154.4
[M+HCOO]- 299.12651 188.6
[M+CH3COO]- 313.14216 196.5
[M+Na-2H]- 275.10298 163.4
[M]+ 254.12776 172.1
[M]- 254.12886 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe