CID 21263987

26239-26-9

Structural Information

Molecular Formula
C6H10N2O2
SMILES
CC1(CNC(=O)NC1=O)C
InChI
InChI=1S/C6H10N2O2/c1-6(2)3-7-5(10)8-4(6)9/h3H2,1-2H3,(H2,7,8,9,10)
InChIKey
OCYRSDBUVNSJBS-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

142.07423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08151 129.2
[M+Na]+ 165.06345 137.4
[M-H]- 141.06695 127.6
[M+NH4]+ 160.10805 148.9
[M+K]+ 181.03739 135.0
[M+H-H2O]+ 125.07149 124.1
[M+HCOO]- 187.07243 145.6
[M+CH3COO]- 201.08808 167.7
[M+Na-2H]- 163.04890 134.8
[M]+ 142.07368 123.6
[M]- 142.07478 123.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe