CID 11137444

5-methoxy-3-methyl-1h-indole

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1=CNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C10H11NO/c1-7-6-11-10-4-3-8(12-2)5-9(7)10/h3-6,11H,1-2H3
InChIKey
YSOFHURJVUIKMU-UHFFFAOYSA-N
Compound name
5-methoxy-3-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

161.08406 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 131.1
[M+Na]+ 184.07328 142.1
[M-H]- 160.07678 134.1
[M+NH4]+ 179.11788 153.5
[M+K]+ 200.04722 138.6
[M+H-H2O]+ 144.08132 125.6
[M+HCOO]- 206.08226 155.0
[M+CH3COO]- 220.09791 175.8
[M+Na-2H]- 182.05873 138.7
[M]+ 161.08351 133.3
[M]- 161.08461 133.3
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