CID 411674

15182-94-2

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

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

InChI

InChI=1S/C13H19NO2/c1-3-14(4-2)9-10-16-13-7-5-12(11-15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3

InChIKey

NYCUSYCCGKZKBM-UHFFFAOYSA-N

Compound name

4-[2-(diethylamino)ethoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 221.14159 Da
Monoisotopic Mass: 2.1
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]+	222.148866	151.2
[M+Na]+	244.130808	157.4
[M-H]-	220.134314	155.8
[M+NH4]+	239.175413	170.1
[M+K]+	260.104748	156.3
[M+H-H2O]+	204.138850	144.2
[M+HCOO]-	266.139791	176.7
[M+CH3COO]-	280.155441	196.0
[M+Na-2H]-	242.116256	156.1
[M]+	221.14104142	155.7
[M]-	221.14213858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe