CID 91647497

3-phenyloxolane-3-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C1COCC1(C=O)C2=CC=CC=C2

InChI

InChI=1S/C11H12O2/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2

InChIKey

MHIRTNVRQOESLH-UHFFFAOYSA-N

Compound name

3-phenyloxolane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 176.08372 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]+	177.09100	137.7
[M+Na]+	199.07294	150.1
[M+NH4]+	194.11754	148.4
[M+K]+	215.04688	143.3
[M-H]-	175.07644	142.7
[M+Na-2H]-	197.05839	146.6
[M]+	176.08317	141.0
[M]-	176.08427	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe