CID 81763

4h-1,3,5-oxadiazin-4-one, tetrahydro-3,5-bis(hydroxymethyl)-

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
3
Annotation Hits

0
References

93
Patents

162.06406 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.071336 132.5
[M+Na]+ 185.053278 139.6
[M-H]- 161.056784 131.1
[M+NH4]+ 180.097883 147.8
[M+K]+ 201.027218 139.6
[M+H-H2O]+ 145.061320 125.9
[M+HCOO]- 207.062261 148.4
[M+CH3COO]- 221.077911 170.4
[M+Na-2H]- 183.038726 138.2
[M]+ 162.06351142 130.4
[M]- 162.06460858 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe