CID 2786955

3,4-dimethoxy-n-methylaniline

Structural Information

Molecular Formula
C9H13NO2
SMILES
CNC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C9H13NO2/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6,10H,1-3H3
InChIKey
PGBJWAKHAFOCEL-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

167.09464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 134.1
[M+Na]+ 190.08386 146.6
[M+NH4]+ 185.12846 142.7
[M+K]+ 206.05780 140.4
[M-H]- 166.08736 136.8
[M+Na-2H]- 188.06931 141.2
[M]+ 167.09409 136.6
[M]- 167.09519 136.6
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