CID 13976922

5-methoxy-1h-benzo[g]indole

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

COC1=CC2=C(C3=CC=CC=C31)NC=C2

InChI

InChI=1S/C13H11NO/c1-15-12-8-9-6-7-14-13(9)11-5-3-2-4-10(11)12/h2-8,14H,1H3

InChIKey

DGGPMXAQMFWTBH-UHFFFAOYSA-N

Compound name

5-methoxy-1H-benzo[g]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.08406 Da
Monoisotopic Mass: 3.3
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]+	198.091336	139.9
[M+Na]+	220.073278	151.0
[M-H]-	196.076784	143.7
[M+NH4]+	215.117883	161.7
[M+K]+	236.047218	145.9
[M+H-H2O]+	180.081320	133.7
[M+HCOO]-	242.082261	162.6
[M+CH3COO]-	256.097911	154.0
[M+Na-2H]-	218.058726	148.7
[M]+	197.08351142	142.0
[M]-	197.08460858	142.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.