CID 294526

Cyclopentylurea

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

C1CCC(C1)NC(=O)N

InChI

InChI=1S/C6H12N2O/c7-6(9)8-5-3-1-2-4-5/h5H,1-4H2,(H3,7,8,9)

InChIKey

CBEYJGNJOCTQGW-UHFFFAOYSA-N

Compound name

cyclopentylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 475
Patents: 128.09496 Da
Monoisotopic Mass: 0.2
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]+	129.10224	127.7
[M+Na]+	151.08418	134.7
[M+NH4]+	146.12878	135.8
[M+K]+	167.05812	132.2
[M-H]-	127.08768	129.2
[M+Na-2H]-	149.06963	131.4
[M]+	128.09441	128.6
[M]-	128.09551	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe