CID 266585

4,5-dimethoxy-2-methylaniline

Structural Information

Molecular Formula
C9H13NO2
SMILES
CC1=CC(=C(C=C1N)OC)OC
InChI
InChI=1S/C9H13NO2/c1-6-4-8(11-2)9(12-3)5-7(6)10/h4-5H,10H2,1-3H3
InChIKey
BLAYBVPASDNLJM-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

130
Patents

167.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 133.7
[M+Na]+ 190.083858 143.0
[M-H]- 166.087364 137.8
[M+NH4]+ 185.128463 154.6
[M+K]+ 206.057798 141.8
[M+H-H2O]+ 150.091900 128.2
[M+HCOO]- 212.092841 159.1
[M+CH3COO]- 226.108491 183.0
[M+Na-2H]- 188.069306 139.0
[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