CID 87293

4-(diethylamino)salicylaldehyde

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

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

InChI

InChI=1S/C11H15NO2/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10/h5-8,14H,3-4H2,1-2H3

InChIKey

XFVZSRRZZNLWBW-UHFFFAOYSA-N

Compound name

4-(diethylamino)-2-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 23
References: 2096
Patents: 193.11028 Da
Monoisotopic Mass: 2.4
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]+	194.117556	141.8
[M+Na]+	216.099498	149.4
[M-H]-	192.103004	145.8
[M+NH4]+	211.144103	161.4
[M+K]+	232.073438	147.9
[M+H-H2O]+	176.107540	135.8
[M+HCOO]-	238.108481	166.4
[M+CH3COO]-	252.124131	188.5
[M+Na-2H]-	214.084946	146.6
[M]+	193.10973142	144.0
[M]-	193.11082858	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe