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]+ 227.10263 146.6
[M+Na]+ 249.08457 154.3
[M-H]- 225.08807 152.4
[M+NH4]+ 244.12917 164.9
[M+K]+ 265.05851 150.8
[M+H-H2O]+ 209.09261 144.7
[M+HCOO]- 271.09355 173.9
[M+CH3COO]- 285.10920 191.5
[M+Na-2H]- 247.07002 152.9
[M]+ 226.09480 150.2
[M]- 226.09590 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.