CID 2758405

676348-36-0

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

COC1=C(C=C(C=C1)C2=CC=CC(=C2)C=O)OC

InChI

InChI=1S/C15H14O3/c1-17-14-7-6-13(9-15(14)18-2)12-5-3-4-11(8-12)10-16/h3-10H,1-2H3

InChIKey

PEIHWSWXATULIX-UHFFFAOYSA-N

Compound name

3-(3,4-dimethoxyphenyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 242.0943 Da
Monoisotopic Mass: 3.0
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]+	243.10158	152.0
[M+Na]+	265.08352	161.2
[M-H]-	241.08702	159.4
[M+NH4]+	260.12812	169.8
[M+K]+	281.05746	158.3
[M+H-H2O]+	225.09156	144.6
[M+HCOO]-	287.09250	177.0
[M+CH3COO]-	301.10815	193.8
[M+Na-2H]-	263.06897	157.5
[M]+	242.09375	156.2
[M]-	242.09485	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe