CID 72885

Allylethylamine

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

CCNCC=C

InChI

InChI=1S/C5H11N/c1-3-5-6-4-2/h3,6H,1,4-5H2,2H3

InChIKey

PUUULGNNRPBVBA-UHFFFAOYSA-N

Compound name

N-ethylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2010
Patents: 85.08915 Da
Monoisotopic Mass: 0.8
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]+	86.096426	116.6
[M+Na]+	108.078368	123.7
[M-H]-	84.081874	117.1
[M+NH4]+	103.122973	140.4
[M+K]+	124.052308	123.2
[M+H-H2O]+	68.086410	112.3
[M+HCOO]-	130.087351	142.0
[M+CH3COO]-	144.103001	168.0
[M+Na-2H]-	106.063816	124.6
[M]+	85.08860142	116.0
[M]-	85.08969858	116.0

Literature stripe

literature stripe

Patent stripe

patents stripe