CID 131752681

Geranyl arabinopyranosyl-glucoside

Structural Information

Molecular Formula
C21H36O10
SMILES
CC(=CCC/C(=C\COC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)/C)C
InChI
InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-21-19(27)17(25)16(24)14(31-21)10-30-20-18(26)15(23)13(22)9-29-20/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7-
InChIKey
IEGFOTASSBZIBZ-GHXNOFRVSA-N
Compound name
2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

20
Patents

448.23083 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.23811 207.8
[M+Na]+ 471.22005 207.8
[M-H]- 447.22355 206.1
[M+NH4]+ 466.26465 210.1
[M+K]+ 487.19399 207.6
[M+H-H2O]+ 431.22809 200.6
[M+HCOO]- 493.22903 210.2
[M+CH3COO]- 507.24468 224.0
[M+Na-2H]- 469.20550 200.0
[M]+ 448.23028 206.1
[M]- 448.23138 206.1
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

No patent data available for this compound.