CID 12638677

4,6-dimethoxy-3-methylindole

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1=CNC2=C1C(=CC(=C2)OC)OC
InChI
InChI=1S/C11H13NO2/c1-7-6-12-9-4-8(13-2)5-10(14-3)11(7)9/h4-6,12H,1-3H3
InChIKey
JWWAWAORLJVTLE-UHFFFAOYSA-N
Compound name
4,6-dimethoxy-3-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 138.8
[M+Na]+ 214.083858 150.1
[M-H]- 190.087364 142.0
[M+NH4]+ 209.128463 160.3
[M+K]+ 230.057798 147.0
[M+H-H2O]+ 174.091900 133.2
[M+HCOO]- 236.092841 162.5
[M+CH3COO]- 250.108491 182.0
[M+Na-2H]- 212.069306 145.1
[M]+ 191.09409142 143.2
[M]- 191.09518858 143.2
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