CID 270089

Ethyl 2-(diethoxyphosphoryl)-3-phenylpropanoate

Structural Information

Molecular Formula
C15H23O5P
SMILES
CCOC(=O)C(CC1=CC=CC=C1)P(=O)(OCC)OCC
InChI
InChI=1S/C15H23O5P/c1-4-18-15(16)14(12-13-10-8-7-9-11-13)21(17,19-5-2)20-6-3/h7-11,14H,4-6,12H2,1-3H3
InChIKey
IGSCEQPLIWETNF-UHFFFAOYSA-N
Compound name
ethyl 2-diethoxyphosphoryl-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

314.1283 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13558 176.1
[M+Na]+ 337.11752 180.5
[M-H]- 313.12102 177.7
[M+NH4]+ 332.16212 190.9
[M+K]+ 353.09146 180.1
[M+H-H2O]+ 297.12556 166.8
[M+HCOO]- 359.12650 201.7
[M+CH3COO]- 373.14215 206.0
[M+Na-2H]- 335.10297 176.0
[M]+ 314.12775 183.6
[M]- 314.12885 183.6
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