CID 98244

35051-49-1

Structural Information

Molecular Formula
C11H23O5P
SMILES
CCCC(C(=O)OCC)P(=O)(OCC)OCC
InChI
InChI=1S/C11H23O5P/c1-5-9-10(11(12)14-6-2)17(13,15-7-3)16-8-4/h10H,5-9H2,1-4H3
InChIKey
BUPVIVDUPRDDFI-UHFFFAOYSA-N
Compound name
ethyl 2-diethoxyphosphorylpentanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

65
Patents

266.1283 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13558 164.9
[M+Na]+ 289.11752 170.1
[M-H]- 265.12102 163.5
[M+NH4]+ 284.16212 182.2
[M+K]+ 305.09146 171.0
[M+H-H2O]+ 249.12556 157.4
[M+HCOO]- 311.12650 190.4
[M+CH3COO]- 325.14215 198.7
[M+Na-2H]- 287.10297 164.6
[M]+ 266.12775 174.0
[M]- 266.12885 174.0
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.