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]+ 242.113536 152.4
[M+Na]+ 264.095478 161.9
[M-H]- 240.098984 153.1
[M+NH4]+ 259.140083 164.8
[M+K]+ 280.069418 157.7
[M+H-H2O]+ 224.103520 144.1
[M+HCOO]- 286.104461 167.9
[M+CH3COO]- 300.120111 186.8
[M+Na-2H]- 262.080926 154.9
[M]+ 241.10571142 149.2
[M]- 241.10680858 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.