CID 10465540

Methyl 1-methoxyindole-3-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

COC(=O)C1=CN(C2=CC=CC=C21)OC

InChI

InChI=1S/C11H11NO3/c1-14-11(13)9-7-12(15-2)10-6-4-3-5-8(9)10/h3-7H,1-2H3

InChIKey

JAAYVMHPQAMBJS-UHFFFAOYSA-N

Compound name

methyl 1-methoxyindole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 205.0739 Da
Monoisotopic Mass: 2.3
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]+	206.08118	141.0
[M+Na]+	228.06312	151.7
[M-H]-	204.06662	145.3
[M+NH4]+	223.10772	162.1
[M+K]+	244.03706	150.0
[M+H-H2O]+	188.07116	134.8
[M+HCOO]-	250.07210	165.6
[M+CH3COO]-	264.08775	184.8
[M+Na-2H]-	226.04857	147.3
[M]+	205.07335	146.9
[M]-	205.07445	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe