CID 3033300

Ethyl (z)-2-cyano-3-ethoxybut-2-enoate

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

CCO/C(=C(/C#N)\C(=O)OCC)/C

InChI

InChI=1S/C9H13NO3/c1-4-12-7(3)8(6-10)9(11)13-5-2/h4-5H2,1-3H3/b8-7-

InChIKey

YKXFOGAYPIPTKF-FPLPWBNLSA-N

Compound name

ethyl (Z)-2-cyano-3-ethoxybut-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 181
Patents: 183.08954 Da
Monoisotopic Mass: 1.4
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]+	184.09682	140.1
[M+Na]+	206.07876	148.3
[M+NH4]+	201.12336	142.7
[M+K]+	222.05270	141.7
[M-H]-	182.08226	130.9
[M+Na-2H]-	204.06421	139.6
[M]+	183.08899	137.4
[M]-	183.09009	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe