CID 10821605

81068-25-9

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CN(C)CCOC1=CC=CC(=C1)C=O

InChI

InChI=1S/C11H15NO2/c1-12(2)6-7-14-11-5-3-4-10(8-11)9-13/h3-5,8-9H,6-7H2,1-2H3

InChIKey

QNVOGNNUHYBUHI-UHFFFAOYSA-N

Compound name

3-[2-(dimethylamino)ethoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 193.11028 Da
Monoisotopic Mass: 1.4
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]+	194.11756	141.8
[M+Na]+	216.09950	148.8
[M-H]-	192.10300	146.8
[M+NH4]+	211.14410	161.8
[M+K]+	232.07344	148.2
[M+H-H2O]+	176.10754	135.2
[M+HCOO]-	238.10848	167.9
[M+CH3COO]-	252.12413	190.0
[M+Na-2H]-	214.08495	147.8
[M]+	193.10973	145.6
[M]-	193.11083	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe