CID 41707

56065-47-5

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CCCC(CC)(CC)N

InChI

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

InChIKey

IZEJQGRHGSWGDZ-UHFFFAOYSA-N

Compound name

3-ethylhexan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 691
Patents: 129.15175 Da
Monoisotopic Mass: 2.2
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	132.5
[M+Na]+	152.140968	138.5
[M-H]-	128.144474	132.2
[M+NH4]+	147.185573	154.5
[M+K]+	168.114908	137.8
[M+H-H2O]+	112.149010	128.2
[M+HCOO]-	174.149951	154.5
[M+CH3COO]-	188.165601	177.7
[M+Na-2H]-	150.126416	138.3
[M]+	129.15120142	132.2
[M]-	129.15229858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe