CID 10036637

2,5-dimethoxy-4-nitrophenethylamine

Structural Information

Molecular Formula
C10H14N2O4
SMILES
COC1=CC(=C(C=C1CCN)OC)[N+](=O)[O-]
InChI
InChI=1S/C10H14N2O4/c1-15-9-6-8(12(13)14)10(16-2)5-7(9)3-4-11/h5-6H,3-4,11H2,1-2H3
InChIKey
ZMUSDZGRRJGRAO-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxy-4-nitrophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

239
Patents

226.09535 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 147.3
[M+Na]+ 249.08457 154.8
[M-H]- 225.08807 151.1
[M+NH4]+ 244.12917 164.6
[M+K]+ 265.05851 149.5
[M+H-H2O]+ 209.09261 145.5
[M+HCOO]- 271.09355 173.5
[M+CH3COO]- 285.10920 187.3
[M+Na-2H]- 247.07002 153.3
[M]+ 226.09480 148.6
[M]- 226.09590 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe