CID 3878530

288154-80-3

Structural Information

Molecular Formula
C9H15ClN2O2
SMILES
CC1C(C(=O)N(C(=O)N1)C(C)(C)C)Cl
InChI
InChI=1S/C9H15ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h5-6H,1-4H3,(H,11,14)
InChIKey
CUHLYCUCQYKUPZ-UHFFFAOYSA-N
Compound name
3-tert-butyl-5-chloro-6-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0822 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08948 147.7
[M+Na]+ 241.07142 157.1
[M-H]- 217.07492 147.5
[M+NH4]+ 236.11602 164.6
[M+K]+ 257.04536 153.2
[M+H-H2O]+ 201.07946 142.8
[M+HCOO]- 263.08040 158.4
[M+CH3COO]- 277.09605 185.8
[M+Na-2H]- 239.05687 150.0
[M]+ 218.08165 146.7
[M]- 218.08275 146.7
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.