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]+ 219.089476 147.7
[M+Na]+ 241.071418 157.1
[M-H]- 217.074924 147.5
[M+NH4]+ 236.116023 164.6
[M+K]+ 257.045358 153.2
[M+H-H2O]+ 201.079460 142.8
[M+HCOO]- 263.080401 158.4
[M+CH3COO]- 277.096051 185.8
[M+Na-2H]- 239.056866 150.0
[M]+ 218.08165142 146.7
[M]- 218.08274858 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.