CID 696310

31330-51-5

Structural Information

Molecular Formula

C₁₀H₉NO₂S

SMILES

CCOC(=O)/C(=C/C1=CC=CS1)/C#N

InChI

InChI=1S/C10H9NO2S/c1-2-13-10(12)8(7-11)6-9-4-3-5-14-9/h3-6H,2H2,1H3/b8-6+

InChIKey

RULXBTAXOUSEDI-SOFGYWHQSA-N

Compound name

ethyl (E)-2-cyano-3-thiophen-2-ylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 207.0354 Da
Monoisotopic Mass: 2.2
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]+	208.04268	142.5
[M+Na]+	230.02462	151.6
[M+NH4]+	225.06922	146.8
[M+K]+	245.99856	143.4
[M-H]-	206.02812	135.8
[M+Na-2H]-	228.01007	144.1
[M]+	207.03485	141.2
[M]-	207.03595	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe