CID 81870

Dextraset

Structural Information

Molecular Formula

C₇H₁₄N₂O₄

SMILES

COCN1COCN(C1=O)COC

InChI

InChI=1S/C7H14N2O4/c1-11-3-8-5-13-6-9(4-12-2)7(8)10/h3-6H2,1-2H3

InChIKey

LHZGEGQZBPULEQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 587
Patents: 190.09535 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.102626	139.5
[M+Na]+	213.084568	146.7
[M-H]-	189.088074	140.6
[M+NH4]+	208.129173	155.2
[M+K]+	229.058508	148.0
[M+H-H2O]+	173.092610	132.1
[M+HCOO]-	235.093551	157.9
[M+CH3COO]-	249.109201	181.5
[M+Na-2H]-	211.070016	145.2
[M]+	190.09480142	141.9
[M]-	190.09589858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe