CID 83121

13081-44-2

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CC(=C)C(=O)NCCN(C)C

InChI

InChI=1S/C8H16N2O/c1-7(2)8(11)9-5-6-10(3)4/h1,5-6H2,2-4H3,(H,9,11)

InChIKey

DCBBWYIVFRLKCD-UHFFFAOYSA-N

Compound name

N-[2-(dimethylamino)ethyl]-2-methylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10838
Patents: 156.12627 Da
Monoisotopic Mass: 0.5
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]+	157.13355	137.7
[M+Na]+	179.11549	142.7
[M-H]-	155.11899	139.2
[M+NH4]+	174.16009	158.7
[M+K]+	195.08943	143.5
[M+H-H2O]+	139.12353	132.0
[M+HCOO]-	201.12447	162.0
[M+CH3COO]-	215.14012	187.6
[M+Na-2H]-	177.10094	140.7
[M]+	156.12572	138.0
[M]-	156.12682	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe