CID 25200845

Acuminose

Structural Information

Molecular Formula
C11H20O10
SMILES
C1[C@@]([C@H]([C@@H](O1)OC[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)(CO)O
InChI
InChI=1S/C11H20O10/c12-2-11(18)3-20-10(8(11)16)19-1-4-5(13)6(14)7(15)9(17)21-4/h4-10,12-18H,1-3H2/t4-,5+,6-,7+,8-,9+,10+,11+/m0/s1
InChIKey
MRAAUGYJHQVNBA-GYIKDEIJSA-N
Compound name
(2R,3R,4S,5S,6S)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

312.10565 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11293 164.5
[M+Na]+ 335.09487 168.5
[M+NH4]+ 330.13947 167.8
[M+K]+ 351.06881 170.8
[M-H]- 311.09837 162.9
[M+Na-2H]- 333.08032 161.5
[M]+ 312.10510 163.9
[M]- 312.10620 163.9
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.