CID 62336

2-phenylpropionaldehyde dimethyl acetal

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CC(C1=CC=CC=C1)C(OC)OC

InChI

InChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3

InChIKey

UFOUDYPOSJJEDJ-UHFFFAOYSA-N

Compound name

1,1-dimethoxypropan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 1814
Patents: 180.11504 Da
Monoisotopic Mass: 2.4
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]+	181.12232	140.4
[M+Na]+	203.10426	146.4
[M-H]-	179.10776	143.7
[M+NH4]+	198.14886	160.3
[M+K]+	219.07820	146.0
[M+H-H2O]+	163.11230	134.3
[M+HCOO]-	225.11324	162.8
[M+CH3COO]-	239.12889	183.1
[M+Na-2H]-	201.08971	145.0
[M]+	180.11449	142.6
[M]-	180.11559	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe