CID 17541

2644-30-6

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]+	184.133206	143.2
[M+Na]+	206.115148	148.8
[M-H]-	182.118654	144.4
[M+NH4]+	201.159753	163.5
[M+K]+	222.089088	148.5
[M+H-H2O]+	166.123190	137.5
[M+HCOO]-	228.124131	167.4
[M+CH3COO]-	242.139781	189.0
[M+Na-2H]-	204.100596	146.5
[M]+	183.12538142	146.6
[M]-	183.12647858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe