CID 209360

4-ethoxy-3-methoxyaniline

Structural Information

Molecular Formula
C9H13NO2
SMILES
CCOC1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C9H13NO2/c1-3-12-8-5-4-7(10)6-9(8)11-2/h4-6H,3,10H2,1-2H3
InChIKey
PQXMYSBFKDQWQN-UHFFFAOYSA-N
Compound name
4-ethoxy-3-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

85
Patents

167.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 134.1
[M+Na]+ 190.083858 142.5
[M-H]- 166.087364 137.8
[M+NH4]+ 185.128463 154.7
[M+K]+ 206.057798 141.2
[M+H-H2O]+ 150.091900 128.3
[M+HCOO]- 212.092841 159.5
[M+CH3COO]- 226.108491 181.8
[M+Na-2H]- 188.069306 140.1
[M]+ 167.09409142 135.9
[M]- 167.09518858 135.9
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