CID 6438040

Homeostan

Structural Information

Molecular Formula

C₉H₁₄N₂O₃

SMILES

CC/C(=C/C)/C(=O)NC(=O)NC(=O)C

InChI

InChI=1S/C9H14N2O3/c1-4-7(5-2)8(13)11-9(14)10-6(3)12/h4H,5H2,1-3H3,(H2,10,11,12,13,14)/b7-4-

InChIKey

GIVGVNLRHLKCMH-DAXSKMNVSA-N

Compound name

(Z)-N-(acetylcarbamoyl)-2-ethylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 198.10045 Da
Monoisotopic Mass: 1.7
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]+	199.10773	147.1
[M+Na]+	221.08967	152.9
[M+NH4]+	216.13427	151.6
[M+K]+	237.06361	150.5
[M-H]-	197.09317	144.5
[M+Na-2H]-	219.07512	147.3
[M]+	198.09990	146.4
[M]-	198.10100	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe