CID 8143

Octylamine

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CCCCCCCCN

InChI

InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3

InChIKey

IOQPZZOEVPZRBK-UHFFFAOYSA-N

Compound name

octan-1-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 165
References: 99851
Patents: 129.15175 Da
Monoisotopic Mass: 3.1
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]+	130.159026	132.4
[M+Na]+	152.140968	137.9
[M-H]-	128.144474	131.7
[M+NH4]+	147.185573	154.2
[M+K]+	168.114908	136.9
[M+H-H2O]+	112.149010	127.4
[M+HCOO]-	174.149951	155.9
[M+CH3COO]-	188.165601	177.4
[M+Na-2H]-	150.126416	137.6
[M]+	129.15120142	132.6
[M]-	129.15229858	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe