CID 2759598

3-methoxy-5-nitroaniline

Structural Information

Molecular Formula
C7H8N2O3
SMILES
COC1=CC(=CC(=C1)[N+](=O)[O-])N
InChI
InChI=1S/C7H8N2O3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,8H2,1H3
InChIKey
BGWUXZLHDLNYHW-UHFFFAOYSA-N
Compound name
3-methoxy-5-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

168.0535 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 130.5
[M+Na]+ 191.04272 143.2
[M+NH4]+ 186.08732 138.6
[M+K]+ 207.01666 140.6
[M-H]- 167.04622 134.1
[M+Na-2H]- 189.02817 136.9
[M]+ 168.05295 133.1
[M]- 168.05405 133.1
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