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
3
Annotation Hits

0
References

299
Patents

198.06406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.071336 137.7
[M+Na]+ 221.053278 145.9
[M-H]- 197.056784 141.7
[M+NH4]+ 216.097883 156.1
[M+K]+ 237.027218 141.2
[M+H-H2O]+ 181.061320 136.2
[M+HCOO]- 243.062261 164.5
[M+CH3COO]- 257.077911 181.2
[M+Na-2H]- 219.038726 144.7
[M]+ 198.06351142 138.2
[M]- 198.06460858 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