CID 75722

2565-47-1

Structural Information

Molecular Formula
C5H6N2O3
SMILES
CN1C(=O)CC(=O)NC1=O
InChI
InChI=1S/C5H6N2O3/c1-7-4(9)2-3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)
InChIKey
DCGGMHIZEAHUJL-UHFFFAOYSA-N
Compound name
1-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

387
Patents

142.03784 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.04512 125.5
[M+Na]+ 165.02706 134.7
[M-H]- 141.03056 125.4
[M+NH4]+ 160.07166 143.9
[M+K]+ 181.00100 133.0
[M+H-H2O]+ 125.03510 119.5
[M+HCOO]- 187.03604 144.1
[M+CH3COO]- 201.05169 170.2
[M+Na-2H]- 163.01251 130.3
[M]+ 142.03729 122.2
[M]- 142.03839 122.2
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