CID 41709

4-ethyl-4-heptanamine hydrochloride

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

CCCC(CC)(CCC)N

InChI

InChI=1S/C9H21N/c1-4-7-9(10,6-3)8-5-2/h4-8,10H2,1-3H3

InChIKey

MLRWFSDTMALNLK-UHFFFAOYSA-N

Compound name

4-ethylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 143.1674 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]+	144.17468	135.6
[M+Na]+	166.15662	144.7
[M+NH4]+	161.20122	143.7
[M+K]+	182.13056	139.0
[M-H]-	142.16012	135.7
[M+Na-2H]-	164.14207	139.2
[M]+	143.16685	136.8
[M]-	143.16795	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe