CID 339433

86506-70-9

Structural Information

Molecular Formula

C₁₂H₁₁NO₃

SMILES

C1C(O1)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C12H11NO3/c14-11-9-3-1-2-4-10(9)12(15)13(11)6-5-8-7-16-8/h1-4,8H,5-7H2

InChIKey

KPQFNAHIBWPUSX-UHFFFAOYSA-N

Compound name

2-[2-(oxiran-2-yl)ethyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 217.0739 Da
Monoisotopic Mass: 1.5
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]+	218.08118	148.5
[M+Na]+	240.06312	162.7
[M+NH4]+	235.10772	157.2
[M+K]+	256.03706	159.7
[M-H]-	216.06662	158.9
[M+Na-2H]-	238.04857	155.7
[M]+	217.07335	154.5
[M]-	217.07445	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe