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

2
Annotation Hits: 0
References: 4025
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]+	131.117886	129.6
[M+Na]+	153.099828	135.2
[M-H]-	129.103334	129.3
[M+NH4]+	148.144433	150.8
[M+K]+	169.073768	134.8
[M+H-H2O]+	113.107870	124.3
[M+HCOO]-	175.108811	154.2
[M+CH3COO]-	189.124461	177.4
[M+Na-2H]-	151.085276	134.7
[M]+	130.11006142	128.2
[M]-	130.11115858	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe