CID 8148

Dibutylamine

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CCCCNCCCC

InChI

InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3

InChIKey

JQVDAXLFBXTEQA-UHFFFAOYSA-N

Compound name

N-butylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 115
References: 157898
Patents: 129.15175 Da
Monoisotopic Mass: 2.8
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]+	130.159026	132.0
[M+Na]+	152.140968	137.5
[M-H]-	128.144474	131.9
[M+NH4]+	147.185573	154.1
[M+K]+	168.114908	136.8
[M+H-H2O]+	112.149010	127.0
[M+HCOO]-	174.149951	156.1
[M+CH3COO]-	188.165601	178.2
[M+Na-2H]-	150.126416	138.3
[M]+	129.15120142	133.2
[M]-	129.15229858	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe