CID 203090

13793-48-1

Structural Information

Molecular Formula

C₁₄H₁₃NO₄

SMILES

CC1(CC(C(=O)O1)N2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C14H13NO4/c1-14(2)7-10(13(18)19-14)15-11(16)8-5-3-4-6-9(8)12(15)17/h3-6,10H,7H2,1-2H3

InChIKey

MPRPCLWVAXZQCY-UHFFFAOYSA-N

Compound name

2-(5,5-dimethyl-2-oxooxolan-3-yl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.08447 Da
Monoisotopic Mass: 1.6
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]+	260.091746	153.3
[M+Na]+	282.073688	164.3
[M-H]-	258.077194	161.5
[M+NH4]+	277.118293	174.6
[M+K]+	298.047628	162.0
[M+H-H2O]+	242.081730	148.6
[M+HCOO]-	304.082671	173.9
[M+CH3COO]-	318.098321	194.8
[M+Na-2H]-	280.059136	155.3
[M]+	259.08392142	155.7
[M]-	259.08501858	155.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.