CID 20340

4336-85-0

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CC(C)C1(C(=O)NC(=O)N(C1=O)C)C
InChI
InChI=1S/C9H14N2O3/c1-5(2)9(3)6(12)10-8(14)11(4)7(9)13/h5H,1-4H3,(H,10,12,14)
InChIKey
ALVDHBGUJHQGNC-UHFFFAOYSA-N
Compound name
1,5-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 140.1
[M+Na]+ 221.089668 149.2
[M-H]- 197.093174 140.2
[M+NH4]+ 216.134273 158.7
[M+K]+ 237.063608 147.5
[M+H-H2O]+ 181.097710 135.1
[M+HCOO]- 243.098651 156.4
[M+CH3COO]- 257.114301 184.1
[M+Na-2H]- 219.075116 142.5
[M]+ 198.09990142 138.5
[M]- 198.10099858 138.5
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.