CID 954465

363165-80-4

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1C2=CC=CC=C2CN1CC(=O)O

InChI

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

InChIKey

HZUNEPIRTFDGOT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
Patents: 177.07898 Da
Monoisotopic Mass: -1.4
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	137.3
[M+Na]+	200.06820	148.4
[M+NH4]+	195.11280	145.6
[M+K]+	216.04214	144.6
[M-H]-	176.07170	137.9
[M+Na-2H]-	198.05365	141.8
[M]+	177.07843	138.8
[M]-	177.07953	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe