CID 131752431

Kiwiionoside

Structural Information

Molecular Formula
C19H34O9
SMILES
CC(/C=C/C1(C(CC(CC1(C)O)OC2C(C(C(C(O2)CO)O)O)O)(C)C)O)O
InChI
InChI=1S/C19H34O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+
InChIKey
SGUOENJPMRQEMJ-AATRIKPKSA-N
Compound name
2-[3,4-dihydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

406.22028 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22756 192.3
[M+Na]+ 429.20950 196.1
[M-H]- 405.21300 189.7
[M+NH4]+ 424.25410 203.5
[M+K]+ 445.18344 195.4
[M+H-H2O]+ 389.21754 190.1
[M+HCOO]- 451.21848 195.3
[M+CH3COO]- 465.23413 212.4
[M+Na-2H]- 427.19495 190.5
[M]+ 406.21973 189.6
[M]- 406.22083 189.6
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