CID 82758

10601-19-1

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

COC1=CC2=C(C=C1)NC=C2C=O

InChI

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

InChIKey

TUWARWGEOHQXCO-UHFFFAOYSA-N

Compound name

5-methoxy-1H-indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 729
Patents: 175.06332 Da
Monoisotopic Mass: 1.7
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	134.3
[M+Na]+	198.05254	148.0
[M+NH4]+	193.09714	142.8
[M+K]+	214.02648	143.2
[M-H]-	174.05604	135.6
[M+Na-2H]-	196.03799	140.7
[M]+	175.06277	136.5
[M]-	175.06387	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe