CID 291350

4-(dimethylamino)-2-methoxybenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

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

InChI

InChI=1S/C10H13NO2/c1-11(2)9-5-4-8(7-12)10(6-9)13-3/h4-7H,1-3H3

InChIKey

HGDRXADJVGVGBC-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-2-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 756
Patents: 179.09464 Da
Monoisotopic Mass: 1.7
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]+	180.101916	136.3
[M+Na]+	202.083858	144.8
[M-H]-	178.087364	142.0
[M+NH4]+	197.128463	157.3
[M+K]+	218.057798	144.5
[M+H-H2O]+	162.091900	130.3
[M+HCOO]-	224.092841	162.8
[M+CH3COO]-	238.108491	188.1
[M+Na-2H]-	200.069306	142.3
[M]+	179.09409142	140.1
[M]-	179.09518858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe