CID 12735

2-aminooctane

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CCCCCCC(C)N

InChI

InChI=1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3

InChIKey

HBXNJMZWGSCKPW-UHFFFAOYSA-N

Compound name

octan-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 2146
Patents: 129.15175 Da
Monoisotopic Mass: 2.6
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]+	130.159026	133.3
[M+Na]+	152.140968	138.6
[M-H]-	128.144474	132.7
[M+NH4]+	147.185573	155.1
[M+K]+	168.114908	138.0
[M+H-H2O]+	112.149010	128.3
[M+HCOO]-	174.149951	155.8
[M+CH3COO]-	188.165601	178.2
[M+Na-2H]-	150.126416	137.2
[M]+	129.15120142	132.8
[M]-	129.15229858	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe