CID 5325146

18896-73-6

Structural Information

Molecular Formula
C13H16NO3P
SMILES
CCOP(=O)(/C(=C/C1=CC=CC=C1)/C#N)OCC
InChI
InChI=1S/C13H16NO3P/c1-3-16-18(15,17-4-2)13(11-14)10-12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3/b13-10+
InChIKey
SEZSXMSQCRWUAS-JLHYYAGUSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0868 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09408 159.3
[M+Na]+ 288.07602 167.3
[M-H]- 264.07952 161.0
[M+NH4]+ 283.12062 174.5
[M+K]+ 304.04996 164.5
[M+H-H2O]+ 248.08406 144.5
[M+HCOO]- 310.08500 182.3
[M+CH3COO]- 324.10065 207.0
[M+Na-2H]- 286.06147 161.2
[M]+ 265.08625 158.2
[M]- 265.08735 158.2
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.