CID 85267368

2,3-butanediol apiosylglucoside

Structural Information

Molecular Formula
C15H28O11
SMILES
CC(C(C)OC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O)O
InChI
InChI=1S/C15H28O11/c1-6(17)7(2)25-13-11(20)10(19)9(18)8(26-13)3-23-14-12(21)15(22,4-16)5-24-14/h6-14,16-22H,3-5H2,1-2H3
InChIKey
IXOASERJLNPXSS-UHFFFAOYSA-N
Compound name
2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-hydroxybutan-2-yloxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.16315 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17043 183.2
[M+Na]+ 407.15237 185.0
[M-H]- 383.15587 181.3
[M+NH4]+ 402.19697 190.9
[M+K]+ 423.12631 187.0
[M+H-H2O]+ 367.16041 179.2
[M+HCOO]- 429.16135 187.9
[M+CH3COO]- 443.17700 206.8
[M+Na-2H]- 405.13782 179.7
[M]+ 384.16260 182.8
[M]- 384.16370 182.8
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.