CID 92904

Indole-3-lactic acid

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O

InChI

InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)

InChIKey

XGILAAMKEQUXLS-UHFFFAOYSA-N

Compound name

2-hydroxy-3-(1H-indol-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 103
References: 1100
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	143.2
[M+Na]+	228.06312	154.0
[M+NH4]+	223.10772	150.0
[M+K]+	244.03706	151.5
[M-H]-	204.06662	142.4
[M+Na-2H]-	226.04857	147.2
[M]+	205.07335	144.2
[M]-	205.07445	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe