CID 24883439

N-hydroxyputrescine(1+)

Structural Information

Molecular Formula

C₄H₁₂N₂O

SMILES

C(CCNO)CN

InChI

InChI=1S/C4H12N2O/c5-3-1-2-4-6-7/h6-7H,1-5H2

InChIKey

BKPWWGCYCSOYNQ-UHFFFAOYSA-N

Compound name

N-(4-aminobutyl)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 70
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	121.0
[M+Na]+	127.08418	126.8
[M-H]-	103.08768	119.4
[M+NH4]+	122.12878	142.5
[M+K]+	143.05812	126.1
[M+H-H2O]+	87.092220	116.0
[M+HCOO]-	149.09316	145.5
[M+CH3COO]-	163.10881	169.5
[M+Na-2H]-	125.06963	127.9
[M]+	104.09441	118.3
[M]-	104.09551	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe