CID 954467

1255718-22-9

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1C2=CC=CC=C2CN1CCC(=O)O

InChI

InChI=1S/C11H13NO2/c13-11(14)5-6-12-7-9-3-1-2-4-10(9)8-12/h1-4H,5-8H2,(H,13,14)

InChIKey

MEYQHTNBBHRFSP-UHFFFAOYSA-N

Compound name

3-(1,3-dihydroisoindol-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 191.09464 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]+	192.10192	141.8
[M+Na]+	214.08386	152.7
[M+NH4]+	209.12846	149.9
[M+K]+	230.05780	148.6
[M-H]-	190.08736	142.4
[M+Na-2H]-	212.06931	146.0
[M]+	191.09409	143.2
[M]-	191.09519	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe