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 180.7
[M+Na]+ 391.15746 183.6
[M-H]- 367.16096 180.2
[M+NH4]+ 386.20206 190.0
[M+K]+ 407.13140 184.8
[M+H-H2O]+ 351.16550 176.6
[M+HCOO]- 413.16644 187.8
[M+CH3COO]- 427.18209 204.7
[M+Na-2H]- 389.14291 178.4
[M]+ 368.16769 181.2
[M]- 368.16879 181.2
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.