CID 155907

72576-14-8

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CN1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O
InChI
InChI=1S/C10H15N3O4/c1-12-8(15)11-9(16)13(10(12)17)6-2-4-7(14)5-3-6/h6-7,14H,2-5H2,1H3,(H,11,15,16)
InChIKey
XWGDZLCXIRAUEM-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-3-methyl-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

241.10626 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 152.4
[M+Na]+ 264.09548 161.9
[M-H]- 240.09898 153.1
[M+NH4]+ 259.14008 164.8
[M+K]+ 280.06942 157.7
[M+H-H2O]+ 224.10352 144.1
[M+HCOO]- 286.10446 167.9
[M+CH3COO]- 300.12011 186.8
[M+Na-2H]- 262.08093 154.9
[M]+ 241.10571 149.2
[M]- 241.10681 149.2
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

No patent data available for this compound.