CID 3087276

Brn 0113160

Structural Information

Molecular Formula

C₁₃H₂₈N₂O

SMILES

CCN(CC)CCOCC1CCCCN1C

InChI

InChI=1S/C13H28N2O/c1-4-15(5-2)10-11-16-12-13-8-6-7-9-14(13)3/h13H,4-12H2,1-3H3

InChIKey

VGHUILWKKACKKA-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 228.22017 Da
Monoisotopic Mass: 1.8
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]+	229.227446	158.9
[M+Na]+	251.209388	161.7
[M-H]-	227.212894	160.8
[M+NH4]+	246.253993	176.0
[M+K]+	267.183328	161.2
[M+H-H2O]+	211.217430	151.0
[M+HCOO]-	273.218371	178.2
[M+CH3COO]-	287.234021	198.6
[M+Na-2H]-	249.194836	160.8
[M]+	228.21962142	158.8
[M]-	228.22071858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe