CID 16228070

1177296-81-9

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CN(C)CC1=CC=CC(=C1)CN

InChI

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

InChIKey

VOVDYPSBXVIIAH-UHFFFAOYSA-N

Compound name

[3-[(dimethylamino)methyl]phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 164.13135 Da
Monoisotopic Mass: 0.8
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]+	165.13863	137.0
[M+Na]+	187.12057	148.5
[M+NH4]+	182.16517	146.1
[M+K]+	203.09451	141.9
[M-H]-	163.12407	141.1
[M+Na-2H]-	185.10602	144.4
[M]+	164.13080	139.7
[M]-	164.13190	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe