CID 80581

2,5-dimethoxy-4-nitroaniline

Structural Information

Molecular Formula
C8H10N2O4
SMILES
COC1=CC(=C(C=C1N)OC)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O4/c1-13-7-4-6(10(11)12)8(14-2)3-5(7)9/h3-4H,9H2,1-2H3
InChIKey
ZTQGTYFYOODGOQ-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

185
Patents

198.06406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 138.1
[M+Na]+ 221.05328 150.5
[M+NH4]+ 216.09788 145.5
[M+K]+ 237.02722 148.4
[M-H]- 197.05678 141.2
[M+Na-2H]- 219.03873 143.5
[M]+ 198.06351 140.4
[M]- 198.06461 140.4
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