CID 70160

N-(3-hydroxypropyl)phthalimide

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCO

InChI

InChI=1S/C11H11NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,13H,3,6-7H2

InChIKey

BSMILTTURCQDGJ-UHFFFAOYSA-N

Compound name

2-(3-hydroxypropyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 390
Patents: 205.0739 Da
Monoisotopic Mass: 1.2
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]+	206.08118	143.7
[M+Na]+	228.06312	155.3
[M+NH4]+	223.10772	151.1
[M+K]+	244.03706	151.3
[M-H]-	204.06662	143.9
[M+Na-2H]-	226.04857	147.3
[M]+	205.07335	145.1
[M]-	205.07445	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe