CID 22297162

Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2h-pyrano[2,3-d]oxazol-2-one

Structural Information

Molecular Formula
C13H15NO7
SMILES
C1=CC=C(C(=C1)N2C3C(C(C(C(O3)CO)O)O)OC2=O)O
InChI
InChI=1S/C13H15NO7/c15-5-8-9(17)10(18)11-12(20-8)14(13(19)21-11)6-3-1-2-4-7(6)16/h1-4,8-12,15-18H,5H2
InChIKey
XBYMZYWXQBJAJG-UHFFFAOYSA-N
Compound name
6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

297.08484 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09212 164.6
[M+Na]+ 320.07406 174.1
[M+NH4]+ 315.11866 169.3
[M+K]+ 336.04800 174.3
[M-H]- 296.07756 166.5
[M+Na-2H]- 318.05951 163.9
[M]+ 297.08429 166.0
[M]- 297.08539 166.0
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

No patent data available for this compound.