CID 75082

N,n-dimethylallylamine

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

CN(C)CC=C

InChI

InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3

InChIKey

GBCKRQRXNXQQPW-UHFFFAOYSA-N

Compound name

N,N-dimethylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 17872
Patents: 85.08915 Da
Monoisotopic Mass: 0.9
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	116.3
[M+Na]+	108.078368	123.6
[M-H]-	84.081874	118.3
[M+NH4]+	103.122973	140.7
[M+K]+	124.052308	124.5
[M+H-H2O]+	68.086410	111.9
[M+HCOO]-	130.087351	142.2
[M+CH3COO]-	144.103001	171.6
[M+Na-2H]-	106.063816	123.6
[M]+	85.08860142	117.0
[M]-	85.08969858	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe