CID 62375

Benzaldehyde dimethyl acetal

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

COC(C1=CC=CC=C1)OC

InChI

InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3

InChIKey

HEVMDQBCAHEHDY-UHFFFAOYSA-N

Compound name

dimethoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 23
References: 11362
Patents: 152.08372 Da
Monoisotopic Mass: 1.6
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]+	153.090996	130.7
[M+Na]+	175.072938	137.8
[M-H]-	151.076444	134.3
[M+NH4]+	170.117543	151.8
[M+K]+	191.046878	137.5
[M+H-H2O]+	135.080980	125.0
[M+HCOO]-	197.081921	154.8
[M+CH3COO]-	211.097571	176.2
[M+Na-2H]-	173.058386	137.7
[M]+	152.08317142	132.9
[M]-	152.08426858	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe