CID 6035055

Schembl13430456

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

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

InChI

InChI=1S/C6H8N2O2/c1-2-10-4-5(3-7)6(8)9/h4H,2H2,1H3,(H2,8,9)/b5-4-

InChIKey

ZLVJIUUJDJDJQG-PLNGDYQASA-N

Compound name

(Z)-2-cyano-3-ethoxyprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 140.05858 Da
Monoisotopic Mass: -0.4
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]+	141.065856	130.1
[M+Na]+	163.047798	138.2
[M-H]-	139.051304	130.4
[M+NH4]+	158.092403	148.8
[M+K]+	179.021738	138.2
[M+H-H2O]+	123.055840	118.5
[M+HCOO]-	185.056781	149.6
[M+CH3COO]-	199.072431	188.5
[M+Na-2H]-	161.033246	133.6
[M]+	140.05803142	124.6
[M]-	140.05912858	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe