CID 54484207

142769-43-5

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CC1=CC(=CC2=C1NC=C2C=O)OC

InChI

InChI=1S/C11H11NO2/c1-7-3-9(14-2)4-10-8(6-13)5-12-11(7)10/h3-6,12H,1-2H3

InChIKey

XRDMHSGSJNDYLJ-UHFFFAOYSA-N

Compound name

5-methoxy-7-methyl-1H-indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.07898 Da
Monoisotopic Mass: 1.8
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]+	190.08626	137.7
[M+Na]+	212.06820	149.3
[M-H]-	188.07170	140.8
[M+NH4]+	207.11280	159.1
[M+K]+	228.04214	145.5
[M+H-H2O]+	172.07624	132.0
[M+HCOO]-	234.07718	161.5
[M+CH3COO]-	248.09283	181.1
[M+Na-2H]-	210.05365	143.9
[M]+	189.07843	141.3
[M]-	189.07953	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe