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
2
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 199.9
[M+Na]+ 445.20442 200.5
[M-H]- 421.20792 198.4
[M+NH4]+ 440.24902 203.2
[M+K]+ 461.17836 200.6
[M+H-H2O]+ 405.21246 192.6
[M+HCOO]- 467.21340 203.7
[M+CH3COO]- 481.22905 218.8
[M+Na-2H]- 443.18987 194.1
[M]+ 422.21465 199.0
[M]- 422.21575 199.0
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

patents stripe