CID 75501

Diallylmethylamine

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

CN(CC=C)CC=C

InChI

InChI=1S/C7H13N/c1-4-6-8(3)7-5-2/h4-5H,1-2,6-7H2,3H3

InChIKey

WGESLFUSXZBFQF-UHFFFAOYSA-N

Compound name

N-methyl-N-prop-2-enylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 11303
Patents: 111.1048 Da
Monoisotopic Mass: 1.6
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]+	112.11208	124.0
[M+Na]+	134.09402	130.8
[M-H]-	110.09752	125.7
[M+NH4]+	129.13862	147.4
[M+K]+	150.06796	130.6
[M+H-H2O]+	94.102060	119.3
[M+HCOO]-	156.10300	149.4
[M+CH3COO]-	170.11865	176.8
[M+Na-2H]-	132.07947	130.3
[M]+	111.10425	124.8
[M]-	111.10535	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe