CID 73812

N-butylphthalimide

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CCCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H13NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3

InChIKey

DLKDEVCJRCPTLN-UHFFFAOYSA-N

Compound name

2-butylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1310
Patents: 203.09464 Da
Monoisotopic Mass: 2.7
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]+	204.101916	143.2
[M+Na]+	226.083858	153.0
[M-H]-	202.087364	146.8
[M+NH4]+	221.128463	164.4
[M+K]+	242.057798	149.7
[M+H-H2O]+	186.091900	137.2
[M+HCOO]-	248.092841	165.6
[M+CH3COO]-	262.108491	186.5
[M+Na-2H]-	224.069306	147.5
[M]+	203.09409142	145.5
[M]-	203.09518858	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe