CID 85257992

(1s,4r)-10-hydroxyfenchone glucoside

Structural Information

Molecular Formula
C16H26O7
SMILES
CC1(C2CCC(C2)(C1=O)COC3C(C(C(C(O3)CO)O)O)O)C
InChI
InChI=1S/C16H26O7/c1-15(2)8-3-4-16(5-8,14(15)21)7-22-13-12(20)11(19)10(18)9(6-17)23-13/h8-13,17-20H,3-7H2,1-2H3
InChIKey
WERYFGDRRGZFRG-UHFFFAOYSA-N
Compound name
3,3-dimethyl-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

330.16785 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17513 172.9
[M+Na]+ 353.15707 179.2
[M-H]- 329.16057 174.2
[M+NH4]+ 348.20167 192.3
[M+K]+ 369.13101 176.8
[M+H-H2O]+ 313.16511 171.4
[M+HCOO]- 375.16605 183.0
[M+CH3COO]- 389.18170 201.0
[M+Na-2H]- 351.14252 173.0
[M]+ 330.16730 172.8
[M]- 330.16840 172.8
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.