CID 17541

Glycine, n,n-diallyl-, ethyl ester

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CCOC(=O)CN(CC=C)CC=C

InChI

InChI=1S/C10H17NO2/c1-4-7-11(8-5-2)9-10(12)13-6-3/h4-5H,1-2,6-9H2,3H3

InChIKey

BHJCQZBVCMLMKV-UHFFFAOYSA-N

Compound name

ethyl 2-[bis(prop-2-enyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 183.12593 Da
Monoisotopic Mass: 1.8
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]+	184.13321	143.2
[M+Na]+	206.11515	148.8
[M-H]-	182.11865	144.4
[M+NH4]+	201.15975	163.5
[M+K]+	222.08909	148.5
[M+H-H2O]+	166.12319	137.5
[M+HCOO]-	228.12413	167.4
[M+CH3COO]-	242.13978	189.0
[M+Na-2H]-	204.10060	146.5
[M]+	183.12538	146.6
[M]-	183.12648	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe