CID 3082054

Gaxilose

Structural Information

Molecular Formula
C11H20O10
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H](CO)[C@@H]([C@H](C=O)O)O)O)O)O)O
InChI
InChI=1S/C11H20O10/c12-1-4(15)7(16)5(2-13)20-11-10(19)9(18)8(17)6(3-14)21-11/h1,4-11,13-19H,2-3H2/t4-,5+,6+,7+,8-,9-,10+,11+/m0/s1
InChIKey
BYZQBCIYLALLPA-NOPGXMAYSA-N
Compound name
(2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

30
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 165.1
[M+Na]+ 335.09487 167.3
[M-H]- 311.09837 159.3
[M+NH4]+ 330.13947 173.1
[M+K]+ 351.06881 168.0
[M+H-H2O]+ 295.10291 159.3
[M+HCOO]- 357.10385 172.1
[M+CH3COO]- 371.11950 192.8
[M+Na-2H]- 333.08032 161.5
[M]+ 312.10510 162.8
[M]- 312.10620 162.8
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

patents stripe