CID 166080

1-aminooxy-4-aminobutane

Structural Information

Molecular Formula

C₄H₁₂N₂O

SMILES

C(CCON)CN

InChI

InChI=1S/C4H12N2O/c5-3-1-2-4-7-6/h1-6H2

InChIKey

BRMYHTNDDMKDGY-UHFFFAOYSA-N

Compound name

O-(4-aminobutyl)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 51
Patents: 104.09496 Da
Monoisotopic Mass: -0.9
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]+	105.10224	119.6
[M+Na]+	127.08418	127.9
[M+NH4]+	122.12878	127.3
[M+K]+	143.05812	123.3
[M-H]-	103.08768	119.9
[M+Na-2H]-	125.06963	123.3
[M]+	104.09441	120.4
[M]-	104.09551	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe