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]+ 257.185956 162.8
[M+Na]+ 279.167898 168.3
[M-H]- 255.171404 161.9
[M+NH4]+ 274.212503 177.0
[M+K]+ 295.141838 166.9
[M+H-H2O]+ 239.175940 157.0
[M+HCOO]- 301.176881 174.6
[M+CH3COO]- 315.192531 193.0
[M+Na-2H]- 277.153346 165.0
[M]+ 256.17813142 161.0
[M]- 256.17922858 161.0
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.