CID 5895404

Ectylurea

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C7H12N2O2/c1-3-5(4-2)6(10)9-7(8)11/h3H,4H2,1-2H3,(H3,8,9,10,11)/b5-3-

InChIKey

QCUPYFTWJOZAOB-HYXAFXHYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 22
References: 1540
Patents: 156.08987 Da
Monoisotopic Mass: 0.9
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]+	157.097146	135.9
[M+Na]+	179.079088	141.3
[M-H]-	155.082594	135.7
[M+NH4]+	174.123693	155.8
[M+K]+	195.053028	140.9
[M+H-H2O]+	139.087130	130.4
[M+HCOO]-	201.088071	158.8
[M+CH3COO]-	215.103721	181.1
[M+Na-2H]-	177.064536	137.8
[M]+	156.08932142	133.3
[M]-	156.09041858	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe