CID 199672

Substanz nr. 338 [german]

Structural Information

Molecular Formula

C₉H₂₁N

SMILES

CCN(CC)CCC(C)C

InChI

InChI=1S/C9H21N/c1-5-10(6-2)8-7-9(3)4/h9H,5-8H2,1-4H3

InChIKey

FJPUTKPSUZLWMN-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-methylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 278
Patents: 143.1674 Da
Monoisotopic Mass: 2.7
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	137.2
[M+Na]+	166.15662	142.3
[M-H]-	142.16012	138.6
[M+NH4]+	161.20122	159.4
[M+K]+	182.13056	143.2
[M+H-H2O]+	126.16466	131.9
[M+HCOO]-	188.16560	160.6
[M+CH3COO]-	202.18125	185.6
[M+Na-2H]-	164.14207	140.9
[M]+	143.16685	139.5
[M]-	143.16795	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe