CID 22591425

412294-03-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CC(=O)NC1=CC2=C(CNC2)C=C1

InChI

InChI=1S/C10H12N2O/c1-7(13)12-10-3-2-8-5-11-6-9(8)4-10/h2-4,11H,5-6H2,1H3,(H,12,13)

InChIKey

JXFJQPDXISQZHE-UHFFFAOYSA-N

Compound name

N-(2,3-dihydro-1H-isoindol-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 176.09496 Da
Monoisotopic Mass: 0.0
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]+	177.10224	137.9
[M+Na]+	199.08418	148.2
[M+NH4]+	194.12878	146.3
[M+K]+	215.05812	144.3
[M-H]-	175.08768	139.3
[M+Na-2H]-	197.06963	142.6
[M]+	176.09441	139.4
[M]-	176.09551	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe