CID 3085506

Benzenamine, 2,5-dimethoxy-n,n-dimethyl-4-nitro-

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CN(C)C1=CC(=C(C=C1OC)[N+](=O)[O-])OC
InChI
InChI=1S/C10H14N2O4/c1-11(2)7-5-10(16-4)8(12(13)14)6-9(7)15-3/h5-6H,1-4H3
InChIKey
JSOVAHGEPQCHNC-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-N,N-dimethyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09535 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.102626 146.6
[M+Na]+ 249.084568 154.3
[M-H]- 225.088074 152.4
[M+NH4]+ 244.129173 164.9
[M+K]+ 265.058508 150.8
[M+H-H2O]+ 209.092610 144.7
[M+HCOO]- 271.093551 173.9
[M+CH3COO]- 285.109201 191.5
[M+Na-2H]- 247.070016 152.9
[M]+ 226.09480142 150.2
[M]- 226.09589858 150.2
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

No patent data available for this compound.