CID 8063354

N-(2-pentynyl)phthalimide

Structural Information

Molecular Formula

C₁₃H₁₁NO₂

SMILES

CCC#CCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C13H11NO2/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16/h4-5,7-8H,2,9H2,1H3

InChIKey

YGFAGDNPORPFTC-UHFFFAOYSA-N

Compound name

2-pent-2-ynylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 213.07898 Da
Monoisotopic Mass: 2.4
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]+	214.08626	148.0
[M+Na]+	236.06820	160.1
[M+NH4]+	231.11280	152.3
[M+K]+	252.04214	151.8
[M-H]-	212.07170	140.9
[M+Na-2H]-	234.05365	149.3
[M]+	213.07843	146.8
[M]-	213.07953	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe