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]+ 175.10773 137.0
[M+Na]+ 197.08967 144.4
[M-H]- 173.09317 138.2
[M+NH4]+ 192.13427 153.5
[M+K]+ 213.06361 145.2
[M+H-H2O]+ 157.09771 129.8
[M+HCOO]- 219.09865 155.2
[M+CH3COO]- 233.11430 179.3
[M+Na-2H]- 195.07512 142.7
[M]+ 174.09990 138.0
[M]- 174.10100 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.