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]+ 184.144436 145.7
[M+Na]+ 206.126378 148.6
[M-H]- 182.129884 143.7
[M+NH4]+ 201.170983 159.2
[M+K]+ 222.100318 144.8
[M+H-H2O]+ 166.134420 136.8
[M+HCOO]- 228.135361 156.3
[M+CH3COO]- 242.151011 174.7
[M+Na-2H]- 204.111826 148.3
[M]+ 183.13661142 133.3
[M]- 183.13770858 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

literature stripe

Patent stripe

patents stripe