CID 3056609

73812-40-5

Structural Information

Molecular Formula

C₁₁H₁₅NOS

SMILES

CCC(CC=C)(C1=CSC=C1)C(=O)N

InChI

InChI=1S/C11H15NOS/c1-3-6-11(4-2,10(12)13)9-5-7-14-8-9/h3,5,7-8H,1,4,6H2,2H3,(H2,12,13)

InChIKey

MGRPDFMEXMOGIB-UHFFFAOYSA-N

Compound name

2-ethyl-2-thiophen-3-ylpent-4-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.08743 Da
Monoisotopic Mass: 2.3
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]+	210.094706	149.8
[M+Na]+	232.076648	156.4
[M-H]-	208.080154	152.8
[M+NH4]+	227.121253	170.3
[M+K]+	248.050588	152.9
[M+H-H2O]+	192.084690	144.2
[M+HCOO]-	254.085631	167.4
[M+CH3COO]-	268.101281	186.7
[M+Na-2H]-	230.062096	150.2
[M]+	209.08688142	150.5
[M]-	209.08797858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.