CID 15395203

2,4-dimethoxy-n-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

364
Patents

167.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 133.4
[M+Na]+ 190.08386 141.8
[M-H]- 166.08736 137.7
[M+NH4]+ 185.12846 154.3
[M+K]+ 206.05780 141.0
[M+H-H2O]+ 150.09190 127.6
[M+HCOO]- 212.09284 159.5
[M+CH3COO]- 226.10849 182.5
[M+Na-2H]- 188.06931 140.6
[M]+ 167.09409 136.3
[M]- 167.09519 136.3
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