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: 563
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]+	129.102236	127.0
[M+Na]+	151.084178	131.7
[M-H]-	127.087684	129.6
[M+NH4]+	146.128783	149.5
[M+K]+	167.058118	131.1
[M+H-H2O]+	111.092220	121.1
[M+HCOO]-	173.093161	151.0
[M+CH3COO]-	187.108811	173.4
[M+Na-2H]-	149.069626	130.8
[M]+	128.09441142	120.9
[M]-	128.09550858	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe