CID 11370367

110107-23-8

Structural Information

Molecular Formula
C11H20O10
SMILES
C1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)O)O)O
InChI
InChI=1S/C11H20O10/c12-2-1-20-11(9(19)3(2)13)21-10-7(17)5(15)4(14)6(16)8(10)18/h2-19H,1H2/t2-,3-,4?,5-,6+,7+,8-,9+,10?,11+/m0/s1
InChIKey
ZTUXXEBTGKCWOB-MKZOOWDRSA-N
Compound name
(1S,2R,4S,5R)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

312.10565 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.112926 166.7
[M+Na]+ 335.094868 170.7
[M-H]- 311.098374 163.5
[M+NH4]+ 330.139473 174.7
[M+K]+ 351.068808 170.0
[M+H-H2O]+ 295.102910 161.1
[M+HCOO]- 357.103851 171.7
[M+CH3COO]- 371.119501 192.6
[M+Na-2H]- 333.080316 163.3
[M]+ 312.10510142 160.6
[M]- 312.10619858 160.6
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