CID 198194

Pentylurea

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CCCCCNC(=O)N

InChI

InChI=1S/C6H14N2O/c1-2-3-4-5-8-6(7)9/h2-5H2,1H3,(H3,7,8,9)

InChIKey

MONRWRVYLOHUFA-UHFFFAOYSA-N

Compound name

pentylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2907
Patents: 130.11061 Da
Monoisotopic Mass: 1.0
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]+	131.11789	128.9
[M+Na]+	153.09983	136.7
[M+NH4]+	148.14443	136.1
[M+K]+	169.07377	132.1
[M-H]-	129.10333	128.8
[M+Na-2H]-	151.08528	131.9
[M]+	130.11006	129.5
[M]-	130.11116	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe