CID 66657110

850876-28-7

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

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

InChI

InChI=1S/C11H16N2/c1-8(2)13-11-4-3-9-6-12-7-10(9)5-11/h3-5,8,12-13H,6-7H2,1-2H3

InChIKey

UIEHHQOIYDRUJF-UHFFFAOYSA-N

Compound name

N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 176.13135 Da
Monoisotopic Mass: 1.6
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]+	177.13863	139.7
[M+Na]+	199.12057	146.0
[M-H]-	175.12407	141.3
[M+NH4]+	194.16517	160.5
[M+K]+	215.09451	142.6
[M+H-H2O]+	159.12861	133.4
[M+HCOO]-	221.12955	160.1
[M+CH3COO]-	235.14520	181.9
[M+Na-2H]-	197.10602	144.6
[M]+	176.13080	136.1
[M]-	176.13190	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe