CID 19821420

1018591-50-8

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

COC1=CC2=C(C=C1)NC(=C2)CC(=O)O

InChI

InChI=1S/C11H11NO3/c1-15-9-2-3-10-7(5-9)4-8(12-10)6-11(13)14/h2-5,12H,6H2,1H3,(H,13,14)

InChIKey

ITSUZTOXIGCANA-UHFFFAOYSA-N

Compound name

2-(5-methoxy-1H-indol-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 205.0739 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]+	206.08118	142.6
[M+Na]+	228.06312	154.7
[M+NH4]+	223.10772	149.9
[M+K]+	244.03706	151.3
[M-H]-	204.06662	142.6
[M+Na-2H]-	226.04857	147.3
[M]+	205.07335	144.1
[M]-	205.07445	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe