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]+ 226.10739 148.8
[M+Na]+ 248.08933 153.8
[M-H]- 224.09283 153.7
[M+NH4]+ 243.13393 164.1
[M+K]+ 264.06327 153.8
[M+H-H2O]+ 208.09737 142.3
[M+HCOO]- 270.09831 166.8
[M+CH3COO]- 284.11396 183.4
[M+Na-2H]- 246.07478 157.1
[M]+ 225.09956 146.0
[M]- 225.10066 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.