CID 14474455

2-(2-formylphenoxy)-n,n-dimethylacetamide

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CN(C)C(=O)COC1=CC=CC=C1C=O

InChI

InChI=1S/C11H13NO3/c1-12(2)11(14)8-15-10-6-4-3-5-9(10)7-13/h3-7H,8H2,1-2H3

InChIKey

DGEPAQUIZIHKQL-UHFFFAOYSA-N

Compound name

2-(2-formylphenoxy)-N,N-dimethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.08954 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]+	208.096816	143.8
[M+Na]+	230.078758	150.9
[M-H]-	206.082264	149.0
[M+NH4]+	225.123363	163.1
[M+K]+	246.052698	150.7
[M+H-H2O]+	190.086800	137.2
[M+HCOO]-	252.087741	169.4
[M+CH3COO]-	266.103391	191.3
[M+Na-2H]-	228.064206	148.7
[M]+	207.08899142	147.6
[M]-	207.09008858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe