CID 199552

4394-23-4

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C
InChI
InChI=1S/C13H18N2O5/c1-7-11(17)14-13(19)15(12(7)18)9-3-5-10(6-4-9)20-8(2)16/h7,9-10H,3-6H2,1-2H3,(H,14,17,19)
InChIKey
KTWAKIZSPUJCDX-UHFFFAOYSA-N
Compound name
[4-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12158 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12886 163.3
[M+Na]+ 305.11080 168.9
[M-H]- 281.11430 165.2
[M+NH4]+ 300.15540 175.6
[M+K]+ 321.08474 166.4
[M+H-H2O]+ 265.11884 155.5
[M+HCOO]- 327.11978 175.8
[M+CH3COO]- 341.13543 198.1
[M+Na-2H]- 303.09625 161.2
[M]+ 282.12103 158.4
[M]- 282.12213 158.4
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