CID 440659

C05403

Structural Information

Molecular Formula
C12H20O11
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O[C@H]2[C@@H](C(=O)[C@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-5,7-15,17-20H,1-2H2/t3-,4-,5+,7-,8-,9-,10-,11?,12+/m1/s1
InChIKey
HKKHTABTHSUDBP-ILXILVFVSA-N
Compound name
(2R,3S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

281
Patents

340.10056 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10784 172.5
[M+Na]+ 363.08978 176.5
[M-H]- 339.09328 171.2
[M+NH4]+ 358.13438 178.6
[M+K]+ 379.06372 177.3
[M+H-H2O]+ 323.09782 166.1
[M+HCOO]- 385.09876 178.2
[M+CH3COO]- 399.11441 199.9
[M+Na-2H]- 361.07523 170.3
[M]+ 340.10001 170.0
[M]- 340.10111 170.0
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.