CID 85663613

144587-71-3

Structural Information

Molecular Formula
C10H14N2O4
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])OCCOCCN
InChI
InChI=1S/C10H14N2O4/c11-5-6-15-7-8-16-10-4-2-1-3-9(10)12(13)14/h1-4H,5-8,11H2
InChIKey
VXFCLRSMUZPEJO-UHFFFAOYSA-N
Compound name
2-[2-(2-nitrophenoxy)ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.09535 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.102626 147.7
[M+Na]+ 249.084568 153.2
[M-H]- 225.088074 150.6
[M+NH4]+ 244.129173 164.3
[M+K]+ 265.058508 147.9
[M+H-H2O]+ 209.092610 145.3
[M+HCOO]- 271.093551 173.9
[M+CH3COO]- 285.109201 185.0
[M+Na-2H]- 247.070016 154.9
[M]+ 226.09480142 148.2
[M]- 226.09589858 148.2
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

patents stripe