CID 131753087

(2s)-2-butanol o-[b-d-apiofuranosyl-(1->6)-b-d-glucopyranoside]

Structural Information

Molecular Formula
C15H28O10
SMILES
CCC(C)OC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O
InChI
InChI=1S/C15H28O10/c1-3-7(2)24-13-11(19)10(18)9(17)8(25-13)4-22-14-12(20)15(21,5-16)6-23-14/h7-14,16-21H,3-6H2,1-2H3
InChIKey
DANFNCOJRRFMIO-UHFFFAOYSA-N
Compound name
2-butan-2-yloxy-6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.16824 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17552 181.1
[M+Na]+ 391.15746 184.4
[M+NH4]+ 386.20206 183.9
[M+K]+ 407.13140 186.3
[M-H]- 367.16096 179.6
[M+Na-2H]- 389.14291 177.4
[M]+ 368.16769 180.4
[M]- 368.16879 180.4
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.