CID 12338917

5-methoxy-7-methyl-1h-indole

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC1=CC(=CC2=C1NC=C2)OC

InChI

InChI=1S/C10H11NO/c1-7-5-9(12-2)6-8-3-4-11-10(7)8/h3-6,11H,1-2H3

InChIKey

YGPVRHHGKCQSIL-UHFFFAOYSA-N

Compound name

5-methoxy-7-methyl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 161.08406 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	162.09134	131.4
[M+Na]+	184.07328	145.7
[M+NH4]+	179.11788	140.9
[M+K]+	200.04722	140.4
[M-H]-	160.07678	133.5
[M+Na-2H]-	182.05873	138.6
[M]+	161.08351	134.1
[M]-	161.08461	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe