CID 368601

3-(methoxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one

Structural Information

Molecular Formula
C6H12N2O3
SMILES
CN1COCN(C1=O)COC
InChI
InChI=1S/C6H12N2O3/c1-7-3-11-5-8(4-10-2)6(7)9/h3-5H2,1-2H3
InChIKey
MOSWOCYONRPTOY-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

160.0848 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.092076 132.4
[M+Na]+ 183.074018 140.2
[M-H]- 159.077524 133.8
[M+NH4]+ 178.118623 149.5
[M+K]+ 199.047958 141.3
[M+H-H2O]+ 143.082060 125.5
[M+HCOO]- 205.083001 150.9
[M+CH3COO]- 219.098651 176.3
[M+Na-2H]- 181.059466 138.7
[M]+ 160.08425142 133.0
[M]- 160.08534858 133.0
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

patents stripe