CID 76257

Diethyl cyanophosphonate

Structural Information

Molecular Formula
C5H10NO3P
SMILES
CCOP(=O)(C#N)OCC
InChI
InChI=1S/C5H10NO3P/c1-3-8-10(7,5-6)9-4-2/h3-4H2,1-2H3
InChIKey
ZWWWLCMDTZFSOO-UHFFFAOYSA-N
Compound name
diethoxyphosphorylformonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

14297
Patents

163.03983 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04711 126.7
[M+Na]+ 186.02905 136.3
[M-H]- 162.03255 127.0
[M+NH4]+ 181.07365 146.3
[M+K]+ 202.00299 137.2
[M+H-H2O]+ 146.03709 114.2
[M+HCOO]- 208.03803 151.7
[M+CH3COO]- 222.05368 190.4
[M+Na-2H]- 184.01450 132.2
[M]+ 163.03928 127.3
[M]- 163.04038 127.3
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.