CID 88349

20059-73-8

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

CN(C)CCOC1=CC=C(C=C1)CN

InChI

InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-9,12H2,1-2H3

InChIKey

OBHPRQNPNGQGCK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 127
Patents: 194.1419 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]+	195.149176	144.7
[M+Na]+	217.131118	150.6
[M-H]-	193.134624	149.1
[M+NH4]+	212.175723	164.2
[M+K]+	233.105058	149.7
[M+H-H2O]+	177.139160	137.8
[M+HCOO]-	239.140101	170.8
[M+CH3COO]-	253.155751	193.1
[M+Na-2H]-	215.116566	149.9
[M]+	194.14135142	145.9
[M]-	194.14244858	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe