CID 162341531

2248287-53-6

Structural Information

Molecular Formula

C₁₄H₁₃NO₅

SMILES

C1CC(COC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H13NO5/c16-12-10-5-1-2-6-11(10)13(17)15(12)20-14(18)9-4-3-7-19-8-9/h1-2,5-6,9H,3-4,7-8H2

InChIKey

YDWHLMZVWNLQJJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 275.07938 Da
Monoisotopic Mass: 1.3
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]+	276.086656	157.9
[M+Na]+	298.068598	164.7
[M-H]-	274.072104	164.5
[M+NH4]+	293.113203	173.6
[M+K]+	314.042538	163.5
[M+H-H2O]+	258.076640	150.6
[M+HCOO]-	320.077581	175.4
[M+CH3COO]-	334.093231	195.6
[M+Na-2H]-	296.054046	160.2
[M]+	275.07883142	157.5
[M]-	275.07992858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe