CID 66876

N-benzyl-n-methylethanolamine

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CN(CCO)CC1=CC=CC=C1

InChI

InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3

InChIKey

WOUANPHGFPAJCA-UHFFFAOYSA-N

Compound name

2-[benzyl(methyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2169
Patents: 165.11537 Da
Monoisotopic Mass: 1.3
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]+	166.122646	136.4
[M+Na]+	188.104588	142.2
[M-H]-	164.108094	139.8
[M+NH4]+	183.149193	156.6
[M+K]+	204.078528	141.0
[M+H-H2O]+	148.112630	130.2
[M+HCOO]-	210.113571	160.9
[M+CH3COO]-	224.129221	182.0
[M+Na-2H]-	186.090036	143.1
[M]+	165.11482142	136.7
[M]-	165.11591858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe