CID 46173603

{4-[2-(dimethylamino)ethyl]phenyl}methanamine

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CN(C)CCC1=CC=C(C=C1)CN

InChI

InChI=1S/C11H18N2/c1-13(2)8-7-10-3-5-11(9-12)6-4-10/h3-6H,7-9,12H2,1-2H3

InChIKey

ODSFRAJKARZHQP-UHFFFAOYSA-N

Compound name

2-[4-(aminomethyl)phenyl]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 178.147 Da
Monoisotopic Mass: 1.1
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]+	179.154276	141.6
[M+Na]+	201.136218	147.5
[M-H]-	177.139724	146.0
[M+NH4]+	196.180823	161.8
[M+K]+	217.110158	146.1
[M+H-H2O]+	161.144260	134.9
[M+HCOO]-	223.145201	167.4
[M+CH3COO]-	237.160851	191.1
[M+Na-2H]-	199.121666	146.7
[M]+	178.14645142	141.3
[M]-	178.14754858	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe