CID 595238

4-methoxy-1-methylindole

Structural Information

Molecular Formula
C10H11NO
SMILES
CN1C=CC2=C1C=CC=C2OC
InChI
InChI=1S/C10H11NO/c1-11-7-6-8-9(11)4-3-5-10(8)12-2/h3-7H,1-2H3
InChIKey
ATEWBFOJLQMYEA-UHFFFAOYSA-N
Compound name
4-methoxy-1-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

161.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 130.5
[M+Na]+ 184.07328 141.9
[M-H]- 160.07678 134.8
[M+NH4]+ 179.11788 153.7
[M+K]+ 200.04722 139.4
[M+H-H2O]+ 144.08132 124.7
[M+HCOO]- 206.08226 155.9
[M+CH3COO]- 220.09791 178.4
[M+Na-2H]- 182.05873 138.5
[M]+ 161.08351 134.6
[M]- 161.08461 134.6
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