CID 4321487

Benzyloxyacetaldehyde diethyl acetal

Structural Information

Molecular Formula

C₁₃H₂₀O₃

SMILES

CCOC(COCC1=CC=CC=C1)OCC

InChI

InChI=1S/C13H20O3/c1-3-15-13(16-4-2)11-14-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3

InChIKey

VTYTZCJKJNWMGA-UHFFFAOYSA-N

Compound name

2,2-diethoxyethoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 224.14125 Da
Monoisotopic Mass: 2.2
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]+	225.14853	152.7
[M+Na]+	247.13047	158.0
[M-H]-	223.13397	155.5
[M+NH4]+	242.17507	170.8
[M+K]+	263.10441	157.2
[M+H-H2O]+	207.13851	145.8
[M+HCOO]-	269.13945	175.6
[M+CH3COO]-	283.15510	190.2
[M+Na-2H]-	245.11592	157.4
[M]+	224.14070	157.8
[M]-	224.14180	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe