CID 4634038

1-(hydroxymethyleneamino)-8-hydroxy-octane

Structural Information

Molecular Formula

C₉H₂₁NO₂

SMILES

C(CCCCO)CCCNCO

InChI

InChI=1S/C9H21NO2/c11-8-6-4-2-1-3-5-7-10-9-12/h10-12H,1-9H2

InChIKey

SJEVZMRZAJQYFZ-UHFFFAOYSA-N

Compound name

8-(hydroxymethylamino)octan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.15723 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]+	176.164506	143.2
[M+Na]+	198.146448	147.4
[M-H]-	174.149954	139.9
[M+NH4]+	193.191053	161.8
[M+K]+	214.120388	145.4
[M+H-H2O]+	158.154490	137.8
[M+HCOO]-	220.155431	164.5
[M+CH3COO]-	234.171081	179.8
[M+Na-2H]-	196.131896	147.8
[M]+	175.15668142	143.9
[M]-	175.15777858	143.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.