CID 521961

(benzylamino)acetaldehyde diethyl acetal

Structural Information

Molecular Formula

C₁₃H₂₁NO₂

SMILES

CCOC(CNCC1=CC=CC=C1)OCC

InChI

InChI=1S/C13H21NO2/c1-3-15-13(16-4-2)11-14-10-12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3

InChIKey

SXFVQTYQHWRYOS-UHFFFAOYSA-N

Compound name

N-benzyl-2,2-diethoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 121
Patents: 223.15723 Da
Monoisotopic Mass: 1.9
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]+	224.164506	153.4
[M+Na]+	246.146448	157.8
[M-H]-	222.149954	156.1
[M+NH4]+	241.191053	171.2
[M+K]+	262.120388	156.4
[M+H-H2O]+	206.154490	146.3
[M+HCOO]-	268.155431	177.1
[M+CH3COO]-	282.171081	193.1
[M+Na-2H]-	244.131896	158.4
[M]+	223.15668142	156.2
[M]-	223.15777858	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe