CID 49817366

2-ethenyl-6-ethyl-n-methylideneaniline

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

CCC1=C(C(=CC=C1)C=C)N=C

InChI

InChI=1S/C11H13N/c1-4-9-7-6-8-10(5-2)11(9)12-3/h4,6-8H,1,3,5H2,2H3

InChIKey

PKOIQOKBVWRIRL-UHFFFAOYSA-N

Compound name

N-(2-ethenyl-6-ethylphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 159.1048 Da
Monoisotopic Mass: 4.7
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]+	160.112076	132.5
[M+Na]+	182.094018	141.1
[M-H]-	158.097524	137.9
[M+NH4]+	177.138623	154.3
[M+K]+	198.067958	138.5
[M+H-H2O]+	142.102060	126.7
[M+HCOO]-	204.103001	159.4
[M+CH3COO]-	218.118651	185.4
[M+Na-2H]-	180.079466	139.2
[M]+	159.10425142	133.7
[M]-	159.10534858	133.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.