CID 199388

4101-97-7

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CC(C)C1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O
InChI
InChI=1S/C13H20N2O4/c1-7(2)10-11(17)14-13(19)15(12(10)18)8-3-5-9(16)6-4-8/h7-10,16H,3-6H2,1-2H3,(H,14,17,19)
InChIKey
CEWVGPYSEYTYEC-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.149576 163.2
[M+Na]+ 291.131518 168.2
[M-H]- 267.135024 163.7
[M+NH4]+ 286.176123 175.5
[M+K]+ 307.105458 164.8
[M+H-H2O]+ 251.139560 155.7
[M+HCOO]- 313.140501 173.8
[M+CH3COO]- 327.156151 194.9
[M+Na-2H]- 289.116966 160.3
[M]+ 268.14175142 155.8
[M]- 268.14284858 155.8
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.