CID 14801555

79251-11-9

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CNCC1=CC=C(C=C1)CNC

InChI

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

InChIKey

JVGKCYRIXCBMPD-UHFFFAOYSA-N

Compound name

N-methyl-1-[4-(methylaminomethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 164.13135 Da
Monoisotopic Mass: 0.7
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	136.7
[M+Na]+	187.12057	148.4
[M+NH4]+	182.16517	145.8
[M+K]+	203.09451	141.0
[M-H]-	163.12407	140.7
[M+Na-2H]-	185.10602	144.4
[M]+	164.13080	139.4
[M]-	164.13190	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe