CID 3058783

Ethyl 2-(2-methyl-1,3-thiazolidin-2-yl)pent-4-enoate

Structural Information

Molecular Formula

C₁₁H₁₉NO₂S

SMILES

CCOC(=O)C(CC=C)C1(NCCS1)C

InChI

InChI=1S/C11H19NO2S/c1-4-6-9(10(13)14-5-2)11(3)12-7-8-15-11/h4,9,12H,1,5-8H2,2-3H3

InChIKey

LNWIIIHSXUAKPI-UHFFFAOYSA-N

Compound name

ethyl 2-(2-methyl-1,3-thiazolidin-2-yl)pent-4-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.11365 Da
Monoisotopic Mass: 1.9
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]+	230.120926	154.7
[M+Na]+	252.102868	159.7
[M-H]-	228.106374	154.7
[M+NH4]+	247.147473	174.7
[M+K]+	268.076808	157.3
[M+H-H2O]+	212.110910	149.5
[M+HCOO]-	274.111851	167.1
[M+CH3COO]-	288.127501	184.8
[M+Na-2H]-	250.088316	153.0
[M]+	229.11310142	154.6
[M]-	229.11419858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.