CID 3057419

74038-38-3

Structural Information

Molecular Formula
C13H17N2O5P
SMILES
CCOP(=O)(CCCCC#N)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H17N2O5P/c1-2-19-21(18,11-5-3-4-10-14)20-13-8-6-12(7-9-13)15(16)17/h6-9H,2-5,11H2,1H3
InChIKey
GLGWHNSGJCDPPY-UHFFFAOYSA-N
Compound name
5-[ethoxy-(4-nitrophenoxy)phosphoryl]pentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0875 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09478 167.4
[M+Na]+ 335.07672 177.1
[M+NH4]+ 330.12132 169.3
[M+K]+ 351.05066 171.5
[M-H]- 311.08022 160.9
[M+Na-2H]- 333.06217 168.5
[M]+ 312.08695 165.8
[M]- 312.08805 165.8
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.