CID 5467934

Nsc660156

Structural Information

Molecular Formula
C12H15N2O3P
SMILES
CCOP(=O)(/C(=C/C1=CC=CC=N1)/C#N)OCC
InChI
InChI=1S/C12H15N2O3P/c1-3-16-18(15,17-4-2)12(10-13)9-11-7-5-6-8-14-11/h5-9H,3-4H2,1-2H3/b12-9+
InChIKey
HFKJWXYDLWPLSJ-FMIVXFBMSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-pyridin-2-ylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.08203 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08931 156.7
[M+Na]+ 289.07125 164.5
[M-H]- 265.07475 156.9
[M+NH4]+ 284.11585 170.4
[M+K]+ 305.04519 162.4
[M+H-H2O]+ 249.07929 140.9
[M+HCOO]- 311.08023 178.6
[M+CH3COO]- 325.09588 206.7
[M+Na-2H]- 287.05670 159.2
[M]+ 266.08148 155.5
[M]- 266.08258 155.5
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.