CID 85177501

Tert-butyl 2-tert-butyl-4-oxo-1,3-diazinane-1-carboxylate

Structural Information

Molecular Formula
C13H24N2O3
SMILES
CC(C)(C)C1NC(=O)CCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C13H24N2O3/c1-12(2,3)10-14-9(16)7-8-15(10)11(17)18-13(4,5)6/h10H,7-8H2,1-6H3,(H,14,16)
InChIKey
AIZNAHFBIATZMP-UHFFFAOYSA-N
Compound name
tert-butyl 2-tert-butyl-4-oxo-1,3-diazinane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.17868 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.18596 161.9
[M+Na]+ 279.16790 169.7
[M+NH4]+ 274.21250 166.4
[M+K]+ 295.14184 167.3
[M-H]- 255.17140 159.0
[M+Na-2H]- 277.15335 163.0
[M]+ 256.17813 161.8
[M]- 256.17923 161.8
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.