CID 439552

Inulobiose

Structural Information

Molecular Formula
C12H22O11
SMILES
C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1
InChIKey
WOHYVFWWTVNXTP-TWOHWVPZSA-N
Compound name
(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

504
Patents

342.1162 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12348 167.9
[M+Na]+ 365.10542 169.6
[M+NH4]+ 360.15002 171.2
[M+K]+ 381.07936 173.2
[M-H]- 341.10892 164.5
[M+Na-2H]- 363.09087 165.0
[M]+ 342.11565 166.4
[M]- 342.11675 166.4
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