CID 5467572

Nsc655949

Structural Information

Molecular Formula
C12H16NO4P
SMILES
CCOP(=O)(/C(=C/C1=CC=C(O1)C)/C#N)OCC
InChI
InChI=1S/C12H16NO4P/c1-4-15-18(14,16-5-2)12(9-13)8-11-7-6-10(3)17-11/h6-8H,4-5H2,1-3H3/b12-8+
InChIKey
QYHNXXVVFDJKRV-XYOKQWHBSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-(5-methylfuran-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0817 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08898 156.9
[M+Na]+ 292.07092 165.8
[M-H]- 268.07442 159.4
[M+NH4]+ 287.11552 172.6
[M+K]+ 308.04486 165.0
[M+H-H2O]+ 252.07896 142.5
[M+HCOO]- 314.07990 180.2
[M+CH3COO]- 328.09555 207.3
[M+Na-2H]- 290.05637 158.3
[M]+ 269.08115 158.2
[M]- 269.08225 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.