CID 96675

S-triazin-2(1h)-one, tetrahydro-5-cyclohexyl-

Structural Information

Molecular Formula

C₉H₁₇N₃O

SMILES

C1CCC(CC1)N2CNC(=O)NC2

InChI

InChI=1S/C9H17N3O/c13-9-10-6-12(7-11-9)8-4-2-1-3-5-8/h8H,1-7H2,(H2,10,11,13)

InChIKey

DPSJAAHDUCUUOC-UHFFFAOYSA-N

Compound name

5-cyclohexyl-1,3,5-triazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 183.13716 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]+	184.14444	145.1
[M+Na]+	206.12638	154.6
[M+NH4]+	201.17098	152.0
[M+K]+	222.10032	149.0
[M-H]-	182.12988	145.8
[M+Na-2H]-	204.11183	149.0
[M]+	183.13661	146.1
[M]-	183.13771	146.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.