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: 50
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	137.1
[M+Na]+	166.15662	142.7
[M-H]-	142.16012	136.6
[M+NH4]+	161.20122	158.5
[M+K]+	182.13056	141.7
[M+H-H2O]+	126.16466	132.6
[M+HCOO]-	188.16560	158.8
[M+CH3COO]-	202.18125	180.8
[M+Na-2H]-	164.14207	142.3
[M]+	143.16685	137.2
[M]-	143.16795	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe