CID 33984

27692-91-7

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

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

InChI

InChI=1S/C12H20N2/c1-4-14(11-10-13(2)3)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3

InChIKey

FWAWELGQRMERND-UHFFFAOYSA-N

Compound name

N'-ethyl-N,N-dimethyl-N'-phenylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 32
Patents: 192.16264 Da
Monoisotopic Mass: 2.8
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]+	193.16992	146.4
[M+Na]+	215.15186	151.1
[M-H]-	191.15536	152.2
[M+NH4]+	210.19646	166.6
[M+K]+	231.12580	151.1
[M+H-H2O]+	175.15990	139.0
[M+HCOO]-	237.16084	173.0
[M+CH3COO]-	251.17649	197.2
[M+Na-2H]-	213.13731	152.0
[M]+	192.16209	148.4
[M]-	192.16319	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe