CID 14768067

(2-hydroxy-1h-indol-3-yl)acetate

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

C1=CC=C2C(=C1)C(=C(N2)O)CC(=O)O

InChI

InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,11,14H,5H2,(H,12,13)

InChIKey

CBECDMSAFNHLHY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 49
Patents: 191.05824 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]+	192.06552	138.5
[M+Na]+	214.04746	150.3
[M+NH4]+	209.09206	145.6
[M+K]+	230.02140	147.4
[M-H]-	190.05096	138.0
[M+Na-2H]-	212.03291	142.9
[M]+	191.05769	139.8
[M]-	191.05879	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe