CID 16768

Diethylacetylurea

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C7H14N2O2/c1-3-5(4-2)6(10)9-7(8)11/h5H,3-4H2,1-2H3,(H3,8,9,10,11)

InChIKey

JIOUJVPLJOQUFD-UHFFFAOYSA-N

Compound name

N-carbamoyl-2-ethylbutanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 18
Patents: 158.10553 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]+	159.112806	137.1
[M+Na]+	181.094748	142.2
[M-H]-	157.098254	136.9
[M+NH4]+	176.139353	157.0
[M+K]+	197.068688	142.4
[M+H-H2O]+	141.102790	131.6
[M+HCOO]-	203.103731	159.9
[M+CH3COO]-	217.119381	182.7
[M+Na-2H]-	179.080196	139.0
[M]+	158.10498142	135.4
[M]-	158.10607858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe