CID 229759

21034-22-0

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1C(COC1=O)C(=O)C2=CC=CC=C2

InChI

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

InChIKey

ZNOUXOIZMNTERL-UHFFFAOYSA-N

Compound name

4-benzoyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 190.06299 Da
Monoisotopic Mass: 1.2
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	139.6
[M+Na]+	213.05221	151.4
[M+NH4]+	208.09681	147.9
[M+K]+	229.02615	147.8
[M-H]-	189.05571	143.7
[M+Na-2H]-	211.03766	145.8
[M]+	190.06244	142.3
[M]-	190.06354	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe