CID 82165680

6-amino-2-isopropylisoindolin-1-one

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CC(C)N1CC2=C(C1=O)C=C(C=C2)N

InChI

InChI=1S/C11H14N2O/c1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14/h3-5,7H,6,12H2,1-2H3

InChIKey

OKPFNNJANJLNJN-UHFFFAOYSA-N

Compound name

6-amino-2-propan-2-yl-3H-isoindol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.11061 Da
Monoisotopic Mass: 1.1
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]+	191.117886	141.7
[M+Na]+	213.099828	150.6
[M-H]-	189.103334	145.0
[M+NH4]+	208.144433	162.9
[M+K]+	229.073768	147.6
[M+H-H2O]+	173.107870	135.7
[M+HCOO]-	235.108811	163.4
[M+CH3COO]-	249.124461	187.4
[M+Na-2H]-	211.085276	144.6
[M]+	190.11006142	140.5
[M]-	190.11115858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe