CID 253517

N-cyclohexyldicarbonimidic diamide

Structural Information

Molecular Formula

C₈H₁₅N₃O₂

SMILES

C1CCC(CC1)NC(=O)NC(=O)N

InChI

InChI=1S/C8H15N3O2/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h6H,1-5H2,(H4,9,10,11,12,13)

InChIKey

XWASRFJIGLFAAZ-UHFFFAOYSA-N

Compound name

1-carbamoyl-3-cyclohexylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 185.11642 Da
Monoisotopic Mass: 1.2
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]+	186.12370	140.8
[M+Na]+	208.10564	143.1
[M-H]-	184.10914	142.8
[M+NH4]+	203.15024	158.7
[M+K]+	224.07958	142.5
[M+H-H2O]+	168.11368	134.0
[M+HCOO]-	230.11462	162.5
[M+CH3COO]-	244.13027	185.9
[M+Na-2H]-	206.09109	143.8
[M]+	185.11587	132.6
[M]-	185.11697	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe