CID 78090

N,n-dimethylhexylamine

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CCCCCCN(C)C

InChI

InChI=1S/C8H19N/c1-4-5-6-7-8-9(2)3/h4-8H2,1-3H3

InChIKey

QMHNQZGXPNCMCO-UHFFFAOYSA-N

Compound name

N,N-dimethylhexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 8997
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	132.1
[M+Na]+	152.140968	137.8
[M-H]-	128.144474	133.5
[M+NH4]+	147.185573	154.8
[M+K]+	168.114908	138.5
[M+H-H2O]+	112.149010	126.9
[M+HCOO]-	174.149951	156.7
[M+CH3COO]-	188.165601	181.8
[M+Na-2H]-	150.126416	137.6
[M]+	129.15120142	134.6
[M]-	129.15229858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe