CID 10058066

2305185-16-2

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1C(NC2=CC=CC=C21)CC(=O)O

InChI

InChI=1S/C10H11NO2/c12-10(13)6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8,11H,5-6H2,(H,12,13)

InChIKey

ZVIHHTJKKUBGSN-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1H-indol-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 177.07898 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]+	178.08626	137.4
[M+Na]+	200.06820	144.7
[M-H]-	176.07170	137.8
[M+NH4]+	195.11280	157.5
[M+K]+	216.04214	141.2
[M+H-H2O]+	160.07624	131.7
[M+HCOO]-	222.07718	156.1
[M+CH3COO]-	236.09283	174.7
[M+Na-2H]-	198.05365	141.9
[M]+	177.07843	134.4
[M]-	177.07953	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe