CID 3021949

92168-48-4

Structural Information

Molecular Formula

C₁₃H₂₆N₂O

SMILES

CCCCN(CCCC)CNC(=O)C(=C)C

InChI

InChI=1S/C13H26N2O/c1-5-7-9-15(10-8-6-2)11-14-13(16)12(3)4/h3,5-11H2,1-2,4H3,(H,14,16)

InChIKey

GPSNGXFIOROBMR-UHFFFAOYSA-N

Compound name

N-[(dibutylamino)methyl]-2-methylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 226.20451 Da
Monoisotopic Mass: 3.1
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]+	227.211786	160.8
[M+Na]+	249.193728	163.8
[M-H]-	225.197234	161.5
[M+NH4]+	244.238333	179.0
[M+K]+	265.167668	163.3
[M+H-H2O]+	209.201770	154.2
[M+HCOO]-	271.202711	183.5
[M+CH3COO]-	285.218361	202.7
[M+Na-2H]-	247.179176	161.2
[M]+	226.20396142	163.0
[M]-	226.20505858	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe