CID 5835909

Ethyl 3-(diethylamino)-crotonate

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CCN(CC)/C(=C/C(=O)OCC)/C

InChI

InChI=1S/C10H19NO2/c1-5-11(6-2)9(4)8-10(12)13-7-3/h8H,5-7H2,1-4H3/b9-8+

InChIKey

MNBAJVZFLPBXPG-CMDGGOBGSA-N

Compound name

ethyl (E)-3-(diethylamino)but-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 185.14159 Da
Monoisotopic Mass: 2.0
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]+	186.14887	145.0
[M+Na]+	208.13081	153.2
[M+NH4]+	203.17541	151.6
[M+K]+	224.10475	148.7
[M-H]-	184.13431	144.1
[M+Na-2H]-	206.11626	147.2
[M]+	185.14104	145.5
[M]-	185.14214	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe