CID 17050

2-(diethylamino)ethyl acrylate

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCN(CC)CCOC(=O)C=C

InChI

InChI=1S/C9H17NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4H,1,5-8H2,2-3H3

InChIKey

QHVBLSNVXDSMEB-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 25088
Patents: 171.12593 Da
Monoisotopic Mass: 1.2
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]+	172.13321	140.3
[M+Na]+	194.11515	149.0
[M+NH4]+	189.15975	147.1
[M+K]+	210.08909	143.9
[M-H]-	170.11865	139.7
[M+Na-2H]-	192.10060	143.1
[M]+	171.12538	141.0
[M]-	171.12648	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe