CID 504177

2-[2-(cyclobutylamino)ethylamino]butan-1-ol

Structural Information

Molecular Formula

C₁₀H₂₂N₂O

SMILES

CCC(CO)NCCNC1CCC1

InChI

InChI=1S/C10H22N2O/c1-2-9(8-13)11-6-7-12-10-4-3-5-10/h9-13H,2-8H2,1H3

InChIKey

XXTZIXCPISGSHO-UHFFFAOYSA-N

Compound name

2-[2-(cyclobutylamino)ethylamino]butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 186.17322 Da
Monoisotopic Mass: 0.6
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]+	187.180496	148.5
[M+Na]+	209.162438	149.5
[M-H]-	185.165944	149.5
[M+NH4]+	204.207043	160.1
[M+K]+	225.136378	151.4
[M+H-H2O]+	169.170480	136.2
[M+HCOO]-	231.171421	168.7
[M+CH3COO]-	245.187071	190.4
[M+Na-2H]-	207.147886	151.3
[M]+	186.17267142	154.1
[M]-	186.17376858	154.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.