CID 272625

Cyclobutylurea

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

C1CC(C1)NC(=O)N

InChI

InChI=1S/C5H10N2O/c6-5(8)7-4-2-1-3-4/h4H,1-3H2,(H3,6,7,8)

InChIKey

XVDWZTJGQBNPFX-UHFFFAOYSA-N

Compound name

cyclobutylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 335
Patents: 114.079315 Da
Monoisotopic Mass: -0.1
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]+	115.08659	124.4
[M+Na]+	137.06853	128.2
[M-H]-	113.07204	127.2
[M+NH4]+	132.11314	139.2
[M+K]+	153.04247	131.3
[M+H-H2O]+	97.076575	113.0
[M+HCOO]-	159.07752	147.2
[M+CH3COO]-	173.09317	175.9
[M+Na-2H]-	135.05398	129.3
[M]+	114.07877	128.2
[M]-	114.07986	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe