CID 146155110

2416236-19-4

Structural Information

Molecular Formula

C₈H₁₉NO₃

SMILES

C(CN)COCCOCCCO

InChI

InChI=1S/C8H19NO3/c9-3-1-5-11-7-8-12-6-2-4-10/h10H,1-9H2

InChIKey

ZNGPKQCBHCNVLZ-UHFFFAOYSA-N

Compound name

3-[2-(3-aminopropoxy)ethoxy]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.13649 Da
Monoisotopic Mass: -1.0
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]+	178.14377	140.0
[M+Na]+	200.12571	147.6
[M+NH4]+	195.17031	146.3
[M+K]+	216.09965	142.7
[M-H]-	176.12921	138.5
[M+Na-2H]-	198.11116	141.9
[M]+	177.13594	140.2
[M]-	177.13704	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.