CID 84128275

Alpha-methoxy-1h-indole-3-propanoic acid

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

COC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C12H13NO3/c1-16-11(12(14)15)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13H,6H2,1H3,(H,14,15)

InChIKey

WTRLCCDSRUPILA-UHFFFAOYSA-N

Compound name

3-(1H-indol-3-yl)-2-methoxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 219.08954 Da
Monoisotopic Mass: 2.0
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]+	220.096816	147.2
[M+Na]+	242.078758	155.2
[M-H]-	218.082264	148.2
[M+NH4]+	237.123363	165.7
[M+K]+	258.052698	152.0
[M+H-H2O]+	202.086800	141.1
[M+HCOO]-	264.087741	167.4
[M+CH3COO]-	278.103391	183.1
[M+Na-2H]-	240.064206	151.5
[M]+	219.08899142	148.7
[M]-	219.09008858	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe