CID 3830286

19544-43-5

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1C(C(=O)OC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C11H10O3/c12-10-7-9(11(13)14-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey

OOEHLTSDDZKTQB-UHFFFAOYSA-N

Compound name

3-benzyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 159
Patents: 190.06299 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]+	191.07027	139.1
[M+Na]+	213.05221	151.7
[M+NH4]+	208.09681	147.5
[M+K]+	229.02615	147.5
[M-H]-	189.05571	143.5
[M+Na-2H]-	211.03766	145.5
[M]+	190.06244	142.0
[M]-	190.06354	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe