CID 81763

7327-69-7

Structural Information

Molecular Formula

C₅H₁₀N₂O₄

SMILES

C1N(C(=O)N(CO1)CO)CO

InChI

InChI=1S/C5H10N2O4/c8-1-6-3-11-4-7(2-9)5(6)10/h8-9H,1-4H2

InChIKey

QQAVKLGSLZBVBF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 81
Patents: 162.06406 Da
Monoisotopic Mass: -1.1
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]+	163.07134	132.9
[M+Na]+	185.05328	142.6
[M+NH4]+	180.09788	138.5
[M+K]+	201.02722	139.8
[M-H]-	161.05678	132.2
[M+Na-2H]-	183.03873	134.8
[M]+	162.06351	133.6
[M]-	162.06461	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe