CID 4435242

3,6-dimethoxy-2-nitroaniline

Structural Information

Molecular Formula
C8H10N2O4
SMILES
COC1=C(C(=C(C=C1)OC)[N+](=O)[O-])N
InChI
InChI=1S/C8H10N2O4/c1-13-5-3-4-6(14-2)8(7(5)9)10(11)12/h3-4H,9H2,1-2H3
InChIKey
IYZRKVSLWPDVKX-UHFFFAOYSA-N
Compound name
3,6-dimethoxy-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

198.06406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 137.7
[M+Na]+ 221.05328 145.9
[M-H]- 197.05678 141.7
[M+NH4]+ 216.09788 156.1
[M+K]+ 237.02722 141.2
[M+H-H2O]+ 181.06132 136.2
[M+HCOO]- 243.06226 164.5
[M+CH3COO]- 257.07791 181.2
[M+Na-2H]- 219.03873 144.7
[M]+ 198.06351 138.2
[M]- 198.06461 138.2
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