CID 12022

N,n-diethylmethylamine

Structural Information

Molecular Formula

C₅H₁₃N

SMILES

CCN(C)CC

InChI

InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3

InChIKey

GNVRJGIVDSQCOP-UHFFFAOYSA-N

Compound name

N-ethyl-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 41384
Patents: 87.1048 Da
Monoisotopic Mass: 1.0
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]+	88.112076	117.9
[M+Na]+	110.094018	124.9
[M-H]-	86.097524	119.9
[M+NH4]+	105.138623	142.4
[M+K]+	126.067958	126.5
[M+H-H2O]+	70.102060	113.4
[M+HCOO]-	132.103001	143.6
[M+CH3COO]-	146.118651	172.6
[M+Na-2H]-	108.079466	125.1
[M]+	87.10425142	119.3
[M]-	87.10534858	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe