CID 14730864

Benzyl b-primeveroside

Structural Information

Molecular Formula
C18H26O10
SMILES
C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)O)O
InChI
InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2
InChIKey
WOGBNISMMIOPAZ-UHFFFAOYSA-N
Compound name
2-phenylmethoxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

7
Patents

402.1526 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15988 191.7
[M+Na]+ 425.14182 199.1
[M+NH4]+ 420.18642 194.2
[M+K]+ 441.11576 198.6
[M-H]- 401.14532 194.3
[M+Na-2H]- 423.12727 190.5
[M]+ 402.15205 192.8
[M]- 402.15315 192.8
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

patents stripe