CID 47397

N-ethylidene-4-propyl-4-heptanamine

Structural Information

Molecular Formula

C₁₂H₂₅N

SMILES

CCCC(CCC)(CCC)N=CC

InChI

InChI=1S/C12H25N/c1-5-9-12(10-6-2,11-7-3)13-8-4/h8H,5-7,9-11H2,1-4H3

InChIKey

AOSWAYINXPKDRV-UHFFFAOYSA-N

Compound name

N-(4-propylheptan-4-yl)ethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 183.1987 Da
Monoisotopic Mass: 3.4
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]+	184.20598	148.4
[M+Na]+	206.18792	153.6
[M-H]-	182.19142	149.4
[M+NH4]+	201.23252	169.2
[M+K]+	222.16186	152.5
[M+H-H2O]+	166.19596	143.2
[M+HCOO]-	228.19690	171.4
[M+CH3COO]-	242.21255	191.8
[M+Na-2H]-	204.17337	153.7
[M]+	183.19815	151.9
[M]-	183.19925	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe