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

1
Patents

183.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.14444 145.7
[M+Na]+ 206.12638 148.6
[M-H]- 182.12988 143.7
[M+NH4]+ 201.17098 159.2
[M+K]+ 222.10032 144.8
[M+H-H2O]+ 166.13442 136.8
[M+HCOO]- 228.13536 156.3
[M+CH3COO]- 242.15101 174.7
[M+Na-2H]- 204.11183 148.3
[M]+ 183.13661 133.3
[M]- 183.13771 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.