CID 5467576

Nsc655954

Structural Information

Molecular Formula
C14H20NO5P
SMILES
CCOCC1=CC=C(O1)/C=C(\C#N)/P(=O)(OCC)OCC
InChI
InChI=1S/C14H20NO5P/c1-4-17-11-13-8-7-12(20-13)9-14(10-15)21(16,18-5-2)19-6-3/h7-9H,4-6,11H2,1-3H3/b14-9+
InChIKey
PHCYZJUJJWWEPO-NTEUORMPSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-[5-(ethoxymethyl)furan-2-yl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1079 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11518 166.7
[M+Na]+ 336.09712 174.6
[M-H]- 312.10062 168.8
[M+NH4]+ 331.14172 180.7
[M+K]+ 352.07106 174.0
[M+H-H2O]+ 296.10516 151.8
[M+HCOO]- 358.10610 189.6
[M+CH3COO]- 372.12175 214.5
[M+Na-2H]- 334.08257 167.5
[M]+ 313.10735 169.9
[M]- 313.10845 169.9
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.