CID 2758412

4-(2,4-dimethoxyphenyl)aniline

Structural Information

Molecular Formula
C14H15NO2
SMILES
COC1=CC(=C(C=C1)C2=CC=C(C=C2)N)OC
InChI
InChI=1S/C14H15NO2/c1-16-12-7-8-13(14(9-12)17-2)10-3-5-11(15)6-4-10/h3-9H,15H2,1-2H3
InChIKey
LLTSZYXEIOVGIH-UHFFFAOYSA-N
Compound name
4-(2,4-dimethoxyphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

229.11028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 150.6
[M+Na]+ 252.09950 159.1
[M-H]- 228.10300 157.5
[M+NH4]+ 247.14410 168.4
[M+K]+ 268.07344 155.9
[M+H-H2O]+ 212.10754 143.2
[M+HCOO]- 274.10848 175.8
[M+CH3COO]- 288.12413 193.8
[M+Na-2H]- 250.08495 155.8
[M]+ 229.10973 152.0
[M]- 229.11083 152.0
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