CID 368602

Nsc639710

Structural Information

Molecular Formula
C7H14N2O3
SMILES
CCOCN1COCN(C1=O)C
InChI
InChI=1S/C7H14N2O3/c1-3-11-5-9-6-12-4-8(2)7(9)10/h3-6H2,1-2H3
InChIKey
SJTZWHUFNGNJSO-UHFFFAOYSA-N
Compound name
3-(ethoxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10045 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.107726 137.0
[M+Na]+ 197.089668 144.4
[M-H]- 173.093174 138.2
[M+NH4]+ 192.134273 153.5
[M+K]+ 213.063608 145.2
[M+H-H2O]+ 157.097710 129.8
[M+HCOO]- 219.098651 155.2
[M+CH3COO]- 233.114301 179.3
[M+Na-2H]- 195.075116 142.7
[M]+ 174.09990142 138.0
[M]- 174.10099858 138.0
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

No patent data available for this compound.