CID 6485560

4-(2-methoxyethoxy)benzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

COCCOC1=CC=C(C=C1)C=O

InChI

InChI=1S/C10H12O3/c1-12-6-7-13-10-4-2-9(8-11)3-5-10/h2-5,8H,6-7H2,1H3

InChIKey

IQCSLVHAFGNDGO-UHFFFAOYSA-N

Compound name

4-(2-methoxyethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 185
Patents: 180.07864 Da
Monoisotopic Mass: 1.2
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]+	181.08592	137.1
[M+Na]+	203.06786	149.9
[M+NH4]+	198.11246	145.2
[M+K]+	219.04180	143.3
[M-H]-	179.07136	138.8
[M+Na-2H]-	201.05331	144.0
[M]+	180.07809	139.3
[M]-	180.07919	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe