CID 10725530

Ethyl 2,3-dicyanopropionate

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

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

InChI

InChI=1S/C7H8N2O2/c1-2-11-7(10)6(5-9)3-4-8/h6H,2-3H2,1H3

InChIKey

NPZOLWMDTPEVEI-UHFFFAOYSA-N

Compound name

ethyl 2,3-dicyanopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 145
Patents: 152.05858 Da
Monoisotopic Mass: 0.1
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]+	153.06586	158.5
[M+Na]+	175.04780	165.3
[M+NH4]+	170.09240	158.4
[M+K]+	191.02174	156.4
[M-H]-	151.05130	146.7
[M+Na-2H]-	173.03325	156.0
[M]+	152.05803	154.7
[M]-	152.05913	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe