CID 225739

N-cyclohexylphthalimide

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H15NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2

InChIKey

XUIJACXTIJMYGJ-UHFFFAOYSA-N

Compound name

2-cyclohexylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 163
Patents: 229.11028 Da
Monoisotopic Mass: 3.1
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]+	230.11756	150.9
[M+Na]+	252.09950	158.0
[M-H]-	228.10300	156.7
[M+NH4]+	247.14410	170.2
[M+K]+	268.07344	154.0
[M+H-H2O]+	212.10754	143.6
[M+HCOO]-	274.10848	169.6
[M+CH3COO]-	288.12413	163.0
[M+Na-2H]-	250.08495	153.1
[M]+	229.10973	146.9
[M]-	229.11083	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe