CID 3457793

2-(4,5-dimethoxy-2-nitrophenyl)ethanamine

Structural Information

Molecular Formula
C10H14N2O4
SMILES
COC1=C(C=C(C(=C1)CCN)[N+](=O)[O-])OC
InChI
InChI=1S/C10H14N2O4/c1-15-9-5-7(3-4-11)8(12(13)14)6-10(9)16-2/h5-6H,3-4,11H2,1-2H3
InChIKey
XRCCQNXLMRHYBK-UHFFFAOYSA-N
Compound name
2-(4,5-dimethoxy-2-nitrophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

226.09535 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.102626 147.3
[M+Na]+ 249.084568 154.8
[M-H]- 225.088074 151.1
[M+NH4]+ 244.129173 164.6
[M+K]+ 265.058508 149.5
[M+H-H2O]+ 209.092610 145.5
[M+HCOO]- 271.093551 173.5
[M+CH3COO]- 285.109201 187.3
[M+Na-2H]- 247.070016 153.3
[M]+ 226.09480142 148.6
[M]- 226.09589858 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

No literature data available for this compound.

Patent stripe

patents stripe