CID 780883

55586-68-0

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

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

InChI

InChI=1S/C12H17NO2/c1-4-13(5-2)11-7-6-10(9-14)12(8-11)15-3/h6-9H,4-5H2,1-3H3

InChIKey

FJBDMJZBYSCLLJ-UHFFFAOYSA-N

Compound name

4-(diethylamino)-2-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 67
Patents: 207.12593 Da
Monoisotopic Mass: 2.2
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]+	208.13321	146.6
[M+Na]+	230.11515	158.8
[M+NH4]+	225.15975	154.7
[M+K]+	246.08909	152.2
[M-H]-	206.11865	149.3
[M+Na-2H]-	228.10060	153.1
[M]+	207.12538	149.0
[M]-	207.12648	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe