CID 138969217

1872262-69-5

Structural Information

Molecular Formula

C₁₃H₁₁NO₅

SMILES

C1CC(OC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O

InChI

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

InChIKey

HMQLJJPUSZLJTE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 261.06372 Da
Monoisotopic Mass: 1.4
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

literature stripe

Patent stripe

patents stripe