CID 199448

4192-35-2

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O
InChI
InChI=1S/C11H16N2O4/c1-6-9(15)12-11(17)13(10(6)16)7-2-4-8(14)5-3-7/h6-8,14H,2-5H2,1H3,(H,12,15,17)
InChIKey
BCQYOGARERVACY-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-5-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11101 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 155.1
[M+Na]+ 263.10023 161.2
[M-H]- 239.10373 155.9
[M+NH4]+ 258.14483 168.6
[M+K]+ 279.07417 157.7
[M+H-H2O]+ 223.10827 147.7
[M+HCOO]- 285.10921 167.3
[M+CH3COO]- 299.12486 187.9
[M+Na-2H]- 261.08568 154.3
[M]+ 240.11046 147.6
[M]- 240.11156 147.6
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

patents stripe