CID 131751158

Linalool oxide d 3-[apiosyl-(1->6)-glucoside]

Structural Information

Molecular Formula
C21H36O11
SMILES
CC1(C(CCC(O1)(C)C=C)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)C
InChI
InChI=1S/C21H36O11/c1-5-20(4)7-6-12(19(2,3)32-20)31-17-15(25)14(24)13(23)11(30-17)8-28-18-16(26)21(27,9-22)10-29-18/h5,11-18,22-27H,1,6-10H2,2-4H3
InChIKey
AINNVCLTLJOODL-UHFFFAOYSA-N
Compound name
2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(6-ethenyl-2,2,6-trimethyloxan-3-yl)oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.22577 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.23305 199.2
[M+Na]+ 487.21499 202.4
[M+NH4]+ 482.25959 204.0
[M+K]+ 503.18893 200.5
[M-H]- 463.21849 200.6
[M+Na-2H]- 485.20044 198.5
[M]+ 464.22522 199.7
[M]- 464.22632 199.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.