CID 3260547

5-(hydroxyamino)-2-phenyl-1,3-dioxane-5-methanol

Structural Information

Molecular Formula
C11H15NO4
SMILES
C1C(COC(O1)C2=CC=CC=C2)(CO)NO
InChI
InChI=1S/C11H15NO4/c13-6-11(12-14)7-15-10(16-8-11)9-4-2-1-3-5-9/h1-5,10,12-14H,6-8H2
InChIKey
QGWKSGXNIVWLBI-UHFFFAOYSA-N
Compound name
[5-(hydroxyamino)-2-phenyl-1,3-dioxan-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10011 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 148.8
[M+Na]+ 248.089328 153.8
[M-H]- 224.092834 153.7
[M+NH4]+ 243.133933 164.1
[M+K]+ 264.063268 153.8
[M+H-H2O]+ 208.097370 142.3
[M+HCOO]- 270.098311 166.8
[M+CH3COO]- 284.113961 183.4
[M+Na-2H]- 246.074776 157.1
[M]+ 225.09956142 146.0
[M]- 225.10065858 146.0
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.