CID 169816

36790-28-0

Structural Information

Molecular Formula

C₁₃H₂₂N₂

SMILES

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

InChI

InChI=1S/C13H22N2/c1-5-15(10-9-14(3)4)13-8-6-7-12(2)11-13/h6-8,11H,5,9-10H2,1-4H3

InChIKey

PFIBWRMTMDDALJ-UHFFFAOYSA-N

Compound name

N'-ethyl-N,N-dimethyl-N'-(3-methylphenyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 206.1783 Da
Monoisotopic Mass: 3.2
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	150.7
[M+Na]+	229.16752	155.9
[M-H]-	205.17102	156.7
[M+NH4]+	224.21212	170.6
[M+K]+	245.14146	155.7
[M+H-H2O]+	189.17556	143.3
[M+HCOO]-	251.17650	176.9
[M+CH3COO]-	265.19215	201.4
[M+Na-2H]-	227.15297	155.0
[M]+	206.17775	153.4
[M]-	206.17885	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe