CID 21988160

2-methylisoindolin-5-amine

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

CN1CC2=C(C1)C=C(C=C2)N

InChI

InChI=1S/C9H12N2/c1-11-5-7-2-3-9(10)4-8(7)6-11/h2-4H,5-6,10H2,1H3

InChIKey

QAJAXOPOSLBUDC-UHFFFAOYSA-N

Compound name

2-methyl-1,3-dihydroisoindol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 148.10005 Da
Monoisotopic Mass: 0.6
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]+	149.10733	129.8
[M+Na]+	171.08927	141.8
[M+NH4]+	166.13387	139.6
[M+K]+	187.06321	137.0
[M-H]-	147.09277	132.6
[M+Na-2H]-	169.07472	135.7
[M]+	148.09950	132.2
[M]-	148.10060	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe