CID 87587

N-ethyl-2-methylallylamine

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CCNCC(=C)C

InChI

InChI=1S/C6H13N/c1-4-7-5-6(2)3/h7H,2,4-5H2,1,3H3

InChIKey

AXTLFVLHXSDZOW-UHFFFAOYSA-N

Compound name

N-ethyl-2-methylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 735
Patents: 99.1048 Da
Monoisotopic Mass: 1.4
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]+	100.112076	122.0
[M+Na]+	122.094018	128.4
[M-H]-	98.097524	122.3
[M+NH4]+	117.138623	145.1
[M+K]+	138.067958	128.1
[M+H-H2O]+	82.102060	117.5
[M+HCOO]-	144.103001	145.9
[M+CH3COO]-	158.118651	171.9
[M+Na-2H]-	120.079466	128.1
[M]+	99.10425142	121.0
[M]-	99.10534858	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe