CID 21155828

Rvk1oo8821

Structural Information

Molecular Formula
C12H22O11
SMILES
C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-5(16)8(18)9(19)6(17)3-22-12(4-15)11(21)10(20)7(2-14)23-12/h5,7-11,13-16,18-21H,1-4H2/t5-,7-,8-,9-,10-,11+,12-/m1/s1
InChIKey
QGQYPBMXRYBEPG-SWONWRTFSA-N
Compound name
(3S,4R,5R)-1-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5,6-tetrahydroxyhexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

342.1162 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12348 171.3
[M+Na]+ 365.10542 172.8
[M-H]- 341.10892 164.1
[M+NH4]+ 360.15002 180.7
[M+K]+ 381.07936 173.9
[M+H-H2O]+ 325.11346 167.6
[M+HCOO]- 387.11440 177.6
[M+CH3COO]- 401.13005 194.9
[M+Na-2H]- 363.09087 167.5
[M]+ 342.11565 170.4
[M]- 342.11675 170.4
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.