CID 3158584

31788-88-2

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CN(C)CC(C1=CC=CC=C1)N

InChI

InChI=1S/C10H16N2/c1-12(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3

InChIKey

NPGAXSHDDOESHB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 181
Patents: 164.13135 Da
Monoisotopic Mass: 1.3
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]+	165.13863	137.7
[M+Na]+	187.12057	148.5
[M+NH4]+	182.16517	146.7
[M+K]+	203.09451	142.5
[M-H]-	163.12407	141.5
[M+Na-2H]-	185.10602	145.0
[M]+	164.13080	140.2
[M]-	164.13190	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe