CID 78406

4673-33-0

Structural Information

Molecular Formula

C₁₉H₄₁NO

SMILES

CCCCCCCCCCCCCCCCOCCCN

InChI

InChI=1S/C19H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h2-20H2,1H3

InChIKey

HPIKNEFNXLGDDK-UHFFFAOYSA-N

Compound name

3-hexadecoxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 414
Patents: 299.31882 Da
Monoisotopic Mass: 7.2
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]+	300.32610	184.6
[M+Na]+	322.30804	185.5
[M-H]-	298.31154	181.7
[M+NH4]+	317.35264	199.5
[M+K]+	338.28198	181.9
[M+H-H2O]+	282.31608	177.1
[M+HCOO]-	344.31702	204.7
[M+CH3COO]-	358.33267	212.5
[M+Na-2H]-	320.29349	183.9
[M]+	299.31827	190.4
[M]-	299.31937	190.4

Literature stripe

literature stripe

Patent stripe

patents stripe