CID 11171619

N-(3-butynyl)phthalimide

Structural Information

Molecular Formula

C₁₂H₉NO₂

SMILES

C#CCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H9NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h1,4-7H,3,8H2

InChIKey

YIMNQWSIQLKYOZ-UHFFFAOYSA-N

Compound name

2-but-3-ynylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 326
Patents: 199.06332 Da
Monoisotopic Mass: 2.1
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]+	200.07060	143.6
[M+Na]+	222.05254	155.9
[M+NH4]+	217.09714	148.1
[M+K]+	238.02648	147.8
[M-H]-	198.05604	136.6
[M+Na-2H]-	220.03799	145.2
[M]+	199.06277	142.5
[M]-	199.06387	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe