CID 118823

1-butanamine, 3-methyl-n-(3-methylbutylidene)-

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CC(C)CCN=CCC(C)C

InChI

InChI=1S/C10H21N/c1-9(2)5-7-11-8-6-10(3)4/h7,9-10H,5-6,8H2,1-4H3

InChIKey

WYNULUURQZBBSK-UHFFFAOYSA-N

Compound name

3-methyl-N-(3-methylbutyl)butan-1-imine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 70
Patents: 155.1674 Da
Monoisotopic Mass: 2.8
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]+	156.17468	139.7
[M+Na]+	178.15662	149.2
[M+NH4]+	173.20122	147.9
[M+K]+	194.13056	142.8
[M-H]-	154.16012	140.4
[M+Na-2H]-	176.14207	143.3
[M]+	155.16685	141.1
[M]-	155.16795	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe