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]+ 269.14958 163.2
[M+Na]+ 291.13152 168.2
[M-H]- 267.13502 163.7
[M+NH4]+ 286.17612 175.5
[M+K]+ 307.10546 164.8
[M+H-H2O]+ 251.13956 155.7
[M+HCOO]- 313.14050 173.8
[M+CH3COO]- 327.15615 194.9
[M+Na-2H]- 289.11697 160.3
[M]+ 268.14175 155.8
[M]- 268.14285 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.