CID 14795862

Isoindolin-5-amine

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

C1C2=C(CN1)C=C(C=C2)N

InChI

InChI=1S/C8H10N2/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5,9H2

InChIKey

YTIFSHPDDSIFRO-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-isoindol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 270
Patents: 134.0844 Da
Monoisotopic Mass: 0.2
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]+	135.09168	125.8
[M+Na]+	157.07362	137.0
[M+NH4]+	152.11822	135.3
[M+K]+	173.04756	132.5
[M-H]-	133.07712	128.0
[M+Na-2H]-	155.05907	131.5
[M]+	134.08385	127.8
[M]-	134.08495	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe