CID 296044

15855-37-5

Structural Information

Molecular Formula

C₁₃H₂₂N₂

SMILES

CCN(CC)CCNCC1=CC=CC=C1

InChI

InChI=1S/C13H22N2/c1-3-15(4-2)11-10-14-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3

InChIKey

VFXMWBGLBNFTSY-UHFFFAOYSA-N

Compound name

N-benzyl-N',N'-diethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 206.1783 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]+	207.18558	150.9
[M+Na]+	229.16752	161.7
[M+NH4]+	224.21212	159.6
[M+K]+	245.14146	153.8
[M-H]-	205.17102	154.9
[M+Na-2H]-	227.15297	158.2
[M]+	206.17775	153.4
[M]-	206.17885	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe