CID 10725851

2416236-27-4

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCOC(=O)C(CC=C)N(C)C

InChI

InChI=1S/C9H17NO2/c1-5-7-8(10(3)4)9(11)12-6-2/h5,8H,1,6-7H2,2-4H3

InChIKey

BOHFEXNXXRIRLU-UHFFFAOYSA-N

Compound name

ethyl 2-(dimethylamino)pent-4-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 171.12593 Da
Monoisotopic Mass: 1.7
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	140.4
[M+Na]+	194.11515	146.0
[M-H]-	170.11865	141.9
[M+NH4]+	189.15975	161.2
[M+K]+	210.08909	147.0
[M+H-H2O]+	154.12319	135.0
[M+HCOO]-	216.12413	163.7
[M+CH3COO]-	230.13978	187.8
[M+Na-2H]-	192.10060	142.9
[M]+	171.12538	143.5
[M]-	171.12648	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe