CID 85249407

10-hydroxy-8-nor-2-fenchanone glucoside

Structural Information

Molecular Formula
C15H24O7
SMILES
CC1C2CCC(C2)(C1=O)COC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C15H24O7/c1-7-8-2-3-15(4-8,13(7)20)6-21-14-12(19)11(18)10(17)9(5-16)22-14/h7-12,14,16-19H,2-6H2,1H3
InChIKey
PDFITCQLYDDVKZ-UHFFFAOYSA-N
Compound name
3-methyl-1-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1522 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15948 169.8
[M+Na]+ 339.14142 175.5
[M-H]- 315.14492 171.1
[M+NH4]+ 334.18602 187.8
[M+K]+ 355.11536 173.2
[M+H-H2O]+ 299.14946 167.6
[M+HCOO]- 361.15040 180.4
[M+CH3COO]- 375.16605 198.4
[M+Na-2H]- 337.12687 168.7
[M]+ 316.15165 168.8
[M]- 316.15275 168.8
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.