CID 24094121

1-octen-3-yl primeveroside

Structural Information

Molecular Formula
C19H34O10
SMILES
CCCCCC(C=C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O
InChI
InChI=1S/C19H34O10/c1-3-5-6-7-10(4-2)28-19-17(25)15(23)14(22)12(29-19)9-27-18-16(24)13(21)11(20)8-26-18/h4,10-25H,2-3,5-9H2,1H3
InChIKey
VXNMHZVTDWLWRX-UHFFFAOYSA-N
Compound name
2-oct-1-en-3-yloxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

422.2152 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.22248 199.1
[M+Na]+ 445.20442 203.0
[M+NH4]+ 440.24902 199.7
[M+K]+ 461.17836 203.6
[M-H]- 421.20792 198.1
[M+Na-2H]- 443.18987 193.2
[M]+ 422.21465 198.5
[M]- 422.21575 198.5
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