CID 90160

Acetaldehyde, dibenzyl acetal

Structural Information

Molecular Formula

C₁₆H₁₈O₂

SMILES

CC(OCC1=CC=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C16H18O2/c1-14(17-12-15-8-4-2-5-9-15)18-13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3

InChIKey

RFRXYOZZAPXFFD-UHFFFAOYSA-N

Compound name

1-phenylmethoxyethoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 31
Patents: 242.13068 Da
Monoisotopic Mass: 3.4
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]+	243.13796	156.4
[M+Na]+	265.11990	161.7
[M-H]-	241.12340	162.4
[M+NH4]+	260.16450	173.2
[M+K]+	281.09384	158.9
[M+H-H2O]+	225.12794	148.4
[M+HCOO]-	287.12888	179.5
[M+CH3COO]-	301.14453	193.0
[M+Na-2H]-	263.10535	162.1
[M]+	242.13013	158.3
[M]-	242.13123	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe