CID 77499

N-(2-hydroxyethyl)phthalimide

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

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

InChI

InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2

InChIKey

MWFLUYFYHANMCM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 3398
Patents: 191.05824 Da
Monoisotopic Mass: 0.8
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]+	192.065516	137.5
[M+Na]+	214.047458	147.6
[M-H]-	190.050964	140.0
[M+NH4]+	209.092063	158.3
[M+K]+	230.021398	144.4
[M+H-H2O]+	174.055500	131.9
[M+HCOO]-	236.056441	159.1
[M+CH3COO]-	250.072091	180.0
[M+Na-2H]-	212.032906	142.4
[M]+	191.05769142	138.6
[M]-	191.05878858	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe