CID 20256

4256-27-3

Structural Information

Molecular Formula
C13H18N2O4
SMILES
C=CCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O
InChI
InChI=1S/C13H18N2O4/c1-2-3-10-11(17)14-13(19)15(12(10)18)8-4-6-9(16)7-5-8/h2,8-10,16H,1,3-7H2,(H,14,17,19)
InChIKey
UPDYLGKTEALMFT-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 162.4
[M+Na]+ 289.115868 167.9
[M-H]- 265.119374 162.8
[M+NH4]+ 284.160473 174.7
[M+K]+ 305.089808 163.4
[M+H-H2O]+ 249.123910 154.7
[M+HCOO]- 311.124851 174.2
[M+CH3COO]- 325.140501 193.2
[M+Na-2H]- 287.101316 160.7
[M]+ 266.12610142 154.9
[M]- 266.12719858 154.9
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.