CID 146229

90734-97-7

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

COC1=CC=CC2=C1C(=CN2)C=O

InChI

InChI=1S/C10H9NO2/c1-13-9-4-2-3-8-10(9)7(6-12)5-11-8/h2-6,11H,1H3

InChIKey

GDVCEQRAPMIJBG-UHFFFAOYSA-N

Compound name

4-methoxy-1H-indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 132
Patents: 175.06332 Da
Monoisotopic Mass: 1.5
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]+	176.07060	133.2
[M+Na]+	198.05254	144.3
[M-H]-	174.05604	136.1
[M+NH4]+	193.09714	154.9
[M+K]+	214.02648	140.8
[M+H-H2O]+	158.06058	127.5
[M+HCOO]-	220.06152	157.5
[M+CH3COO]-	234.07717	176.9
[M+Na-2H]-	196.03799	140.7
[M]+	175.06277	136.1
[M]-	175.06387	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe