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
1
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 152.8
[M+Na]+ 264.09548 165.0
[M+NH4]+ 259.14008 157.4
[M+K]+ 280.06942 160.9
[M-H]- 240.09898 152.3
[M+Na-2H]- 262.08093 156.7
[M]+ 241.10571 153.9
[M]- 241.10681 153.9
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.