CID 411277

161798-71-6

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

CN(C)C1=CC=C(C=C1)CNCCO

InChI

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

InChIKey

QMTREYREQKDBSD-UHFFFAOYSA-N

Compound name

2-[[4-(dimethylamino)phenyl]methylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 194.1419 Da
Monoisotopic Mass: 0.9
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]+	195.14918	144.6
[M+Na]+	217.13112	150.0
[M-H]-	193.13462	148.1
[M+NH4]+	212.17572	163.6
[M+K]+	233.10506	148.6
[M+H-H2O]+	177.13916	137.9
[M+HCOO]-	239.14010	169.8
[M+CH3COO]-	253.15575	191.2
[M+Na-2H]-	215.11657	150.3
[M]+	194.14135	144.9
[M]-	194.14245	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe