CID 550649

Chebi:229591

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

CC(=O)N(CCCCN)O

InChI

InChI=1S/C6H14N2O2/c1-6(9)8(10)5-3-2-4-7/h10H,2-5,7H2,1H3

InChIKey

CFORGILBPYHKOH-UHFFFAOYSA-N

Compound name

N-(4-aminobutyl)-N-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 146.10553 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]+	147.11281	133.1
[M+Na]+	169.09475	138.4
[M-H]-	145.09825	132.9
[M+NH4]+	164.13935	153.5
[M+K]+	185.06869	139.0
[M+H-H2O]+	129.10279	127.5
[M+HCOO]-	191.10373	156.9
[M+CH3COO]-	205.11938	180.3
[M+Na-2H]-	167.08020	136.8
[M]+	146.10498	132.4
[M]-	146.10608	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe