CID 13846777

(4-aminobutyl)(benzyloxy)amine dihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

C1=CC=C(C=C1)CONCCCCN

InChI

InChI=1S/C11H18N2O/c12-8-4-5-9-13-14-10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10,12H2

InChIKey

VEGOOVMQKQHART-UHFFFAOYSA-N

Compound name

N'-phenylmethoxybutane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.1419 Da
Monoisotopic Mass: 1.1
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]+	195.149176	143.6
[M+Na]+	217.131118	148.4
[M-H]-	193.134624	146.0
[M+NH4]+	212.175723	162.1
[M+K]+	233.105058	146.0
[M+H-H2O]+	177.139160	136.6
[M+HCOO]-	239.140101	169.2
[M+CH3COO]-	253.155751	188.5
[M+Na-2H]-	215.116566	150.4
[M]+	194.14135142	143.2
[M]-	194.14244858	143.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.