CID 62477834

4-methoxybutane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula

C₅H₁₄N₂O

SMILES

COCCC(CN)N

InChI

InChI=1S/C5H14N2O/c1-8-3-2-5(7)4-6/h5H,2-4,6-7H2,1H3

InChIKey

VGHVEWVHFGVRDM-UHFFFAOYSA-N

Compound name

4-methoxybutane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 118.11061 Da
Monoisotopic Mass: -1.4
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]+	119.11789	124.8
[M+Na]+	141.09983	132.6
[M+NH4]+	136.14443	132.3
[M+K]+	157.07377	128.5
[M-H]-	117.10333	124.8
[M+Na-2H]-	139.08528	127.8
[M]+	118.11006	125.5
[M]-	118.11116	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.