CID 74029760

1-(3-methylbutanoyl)-6-apiosylglucose

Structural Information

Molecular Formula
C16H28O11
SMILES
CC(C)CC(=O)OC1C(C(C(C(O1)COC2C(C(CO2)(CO)O)O)O)O)O
InChI
InChI=1S/C16H28O11/c1-7(2)3-9(18)27-14-12(21)11(20)10(19)8(26-14)4-24-15-13(22)16(23,5-17)6-25-15/h7-8,10-15,17,19-23H,3-6H2,1-2H3
InChIKey
ZIEQNJFDWXPCBV-UHFFFAOYSA-N
Compound name
[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

396.16315 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17043 186.6
[M+Na]+ 419.15237 188.9
[M+NH4]+ 414.19697 188.2
[M+K]+ 435.12631 191.9
[M-H]- 395.15587 184.0
[M+Na-2H]- 417.13782 181.9
[M]+ 396.16260 185.3
[M]- 396.16370 185.3
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.