CID 162342388

2127881-32-5

Structural Information

Molecular Formula

C₁₃H₁₁NO₅

SMILES

C1COCC1C(=O)ON2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C13H11NO5/c15-11-9-3-1-2-4-10(9)12(16)14(11)19-13(17)8-5-6-18-7-8/h1-4,8H,5-7H2

InChIKey

JNYDZIWMKNMTSZ-UHFFFAOYSA-N

Compound name

(1,3-dioxoisoindol-2-yl) oxolane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 261.06372 Da
Monoisotopic Mass: 0.9
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]+	262.070996	154.0
[M+Na]+	284.052938	162.0
[M-H]-	260.056444	161.3
[M+NH4]+	279.097543	172.3
[M+K]+	300.026878	161.1
[M+H-H2O]+	244.060980	148.2
[M+HCOO]-	306.061921	174.1
[M+CH3COO]-	320.077571	192.3
[M+Na-2H]-	282.038386	155.3
[M]+	261.06317142	155.6
[M]-	261.06426858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe