CID 3778700

3-[(3-methylbenzyl)oxy]benzaldehyde

Structural Information

Molecular Formula

C₁₅H₁₄O₂

SMILES

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C=O

InChI

InChI=1S/C15H14O2/c1-12-4-2-6-14(8-12)11-17-15-7-3-5-13(9-15)10-16/h2-10H,11H2,1H3

InChIKey

KUBQGVFWIDMJLR-UHFFFAOYSA-N

Compound name

3-[(3-methylphenyl)methoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 226.09938 Da
Monoisotopic Mass: 3.2
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]+	227.10666	150.4
[M+Na]+	249.08860	166.2
[M+NH4]+	244.13320	159.6
[M+K]+	265.06254	157.5
[M-H]-	225.09210	155.5
[M+Na-2H]-	247.07405	160.6
[M]+	226.09883	154.3
[M]-	226.09993	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe