CID 66067

Armine

Structural Information

Molecular Formula
C10H14NO5P
SMILES
CCOP(=O)(CC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO5P/c1-3-15-17(14,4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChIKey
XXUJMEYKYHETBZ-UHFFFAOYSA-N
Compound name
1-[ethoxy(ethyl)phosphoryl]oxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

92
References

6671
Patents

259.06097 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06825 155.2
[M+Na]+ 282.05019 161.8
[M-H]- 258.05369 158.1
[M+NH4]+ 277.09479 171.9
[M+K]+ 298.02413 157.3
[M+H-H2O]+ 242.05823 151.5
[M+HCOO]- 304.05917 185.0
[M+CH3COO]- 318.07482 189.1
[M+Na-2H]- 280.03564 161.8
[M]+ 259.06042 159.1
[M]- 259.06152 159.1
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.