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]+ 161.09208 132.4
[M+Na]+ 183.07402 140.2
[M-H]- 159.07752 133.8
[M+NH4]+ 178.11862 149.5
[M+K]+ 199.04796 141.3
[M+H-H2O]+ 143.08206 125.5
[M+HCOO]- 205.08300 150.9
[M+CH3COO]- 219.09865 176.3
[M+Na-2H]- 181.05947 138.7
[M]+ 160.08425 133.0
[M]- 160.08535 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