CID 135338

N-desmethyldoxylamine

Structural Information

Molecular Formula

C₁₆H₂₀N₂O

SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCNC

InChI

InChI=1S/C16H20N2O/c1-16(19-13-12-17-2,14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,17H,12-13H2,1-2H3

InChIKey

VCONERXBEFNHJS-UHFFFAOYSA-N

Compound name

N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 256.15756 Da
Monoisotopic Mass: 2.0
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]+	257.164836	160.8
[M+Na]+	279.146778	166.1
[M-H]-	255.150284	165.5
[M+NH4]+	274.191383	175.6
[M+K]+	295.120718	162.3
[M+H-H2O]+	239.154820	152.1
[M+HCOO]-	301.155761	182.9
[M+CH3COO]-	315.171411	197.9
[M+Na-2H]-	277.132226	169.0
[M]+	256.15701142	161.3
[M]-	256.15810858	161.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.