CID 43370059

2-butyl-2,3-dihydro-1h-isoindol-4-amine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

CCCCN1CC2=C(C1)C(=CC=C2)N

InChI

InChI=1S/C12H18N2/c1-2-3-7-14-8-10-5-4-6-12(13)11(10)9-14/h4-6H,2-3,7-9,13H2,1H3

InChIKey

MZJPCZPYCHIABC-UHFFFAOYSA-N

Compound name

2-butyl-1,3-dihydroisoindol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.147 Da
Monoisotopic Mass: 1.9
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]+	191.15428	143.5
[M+Na]+	213.13622	154.9
[M+NH4]+	208.18082	152.7
[M+K]+	229.11016	149.3
[M-H]-	189.13972	146.2
[M+Na-2H]-	211.12167	148.5
[M]+	190.14645	145.7
[M]-	190.14755	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe