CID 688173

Methyl-6-methoxy-2-indolecarboxylate

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

COC1=CC2=C(C=C1)C=C(N2)C(=O)OC

InChI

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

InChIKey

OPUUCOLVBDQWEY-UHFFFAOYSA-N

Compound name

methyl 6-methoxy-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 355
Patents: 205.0739 Da
Monoisotopic Mass: 2.4
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]+	206.081176	141.6
[M+Na]+	228.063118	151.9
[M-H]-	204.066624	144.5
[M+NH4]+	223.107723	161.9
[M+K]+	244.037058	149.2
[M+H-H2O]+	188.071160	135.6
[M+HCOO]-	250.072101	164.7
[M+CH3COO]-	264.087751	182.2
[M+Na-2H]-	226.048566	147.4
[M]+	205.07335142	145.6
[M]-	205.07444858	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe