CID 3617823

4-cyclohexyl-1,1-dimethylsemicarbazide

Structural Information

Molecular Formula

C₉H₁₉N₃O

SMILES

CN(C)NC(=O)NC1CCCCC1

InChI

InChI=1S/C9H19N3O/c1-12(2)11-9(13)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,10,11,13)

InChIKey

AGWFEHOSMCUSIB-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-(dimethylamino)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 185.15282 Da
Monoisotopic Mass: 1.4
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]+	186.16010	143.2
[M+Na]+	208.14204	145.1
[M-H]-	184.14554	147.0
[M+NH4]+	203.18664	162.2
[M+K]+	224.11598	145.7
[M+H-H2O]+	168.15008	136.1
[M+HCOO]-	230.15102	166.3
[M+CH3COO]-	244.16667	191.4
[M+Na-2H]-	206.12749	147.2
[M]+	185.15227	137.6
[M]-	185.15337	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe