CID 71306906

Glytoucan:g99152lo

Structural Information

Molecular Formula
C12H22O11
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12?/m1/s1
InChIKey
DLRVVLDZNNYCBX-KNHCDGMMSA-N
Compound name
(2S,3R,4S,5S,6R)-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

781
References

56621
Patents

342.1162 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12348 174.7
[M+Na]+ 365.10542 178.0
[M-H]- 341.10892 172.1
[M+NH4]+ 360.15002 180.1
[M+K]+ 381.07936 178.7
[M+H-H2O]+ 325.11346 168.3
[M+HCOO]- 387.11440 178.6
[M+CH3COO]- 401.13005 198.9
[M+Na-2H]- 363.09087 172.0
[M]+ 342.11565 171.2
[M]- 342.11675 171.2
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.