CID 80191

N-(2-propylpentanoyl)urea

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

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

InChI

InChI=1S/C9H18N2O2/c1-3-5-7(6-4-2)8(12)11-9(10)13/h7H,3-6H2,1-2H3,(H3,10,11,12,13)

InChIKey

PZMMWWLCCGJACT-UHFFFAOYSA-N

Compound name

N-carbamoyl-2-propylpentanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 15
Patents: 186.13683 Da
Monoisotopic Mass: 2.0
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]+	187.144106	146.3
[M+Na]+	209.126048	150.6
[M-H]-	185.129554	145.7
[M+NH4]+	204.170653	165.1
[M+K]+	225.099988	150.3
[M+H-H2O]+	169.134090	140.4
[M+HCOO]-	231.135031	168.4
[M+CH3COO]-	245.150681	188.8
[M+Na-2H]-	207.111496	147.2
[M]+	186.13628142	145.4
[M]-	186.13737858	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe