CID 656512

Ara(b1-3)gal

Structural Information

Molecular Formula
C11H20O10
SMILES
C1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H]([C@H](OC([C@@H]2O)O)CO)O)O)O)O
InChI
InChI=1S/C11H20O10/c12-1-4-6(15)9(8(17)10(18)20-4)21-11-7(16)5(14)3(13)2-19-11/h3-18H,1-2H2/t3-,4+,5-,6-,7+,8+,9-,10?,11+/m0/s1
InChIKey
CKIPPJHUIHDREQ-TUJAQXOJSA-N
Compound name
(3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

312.10565 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11293 167.5
[M+Na]+ 335.09487 171.2
[M-H]- 311.09837 166.1
[M+NH4]+ 330.13947 174.7
[M+K]+ 351.06881 171.8
[M+H-H2O]+ 295.10291 161.3
[M+HCOO]- 357.10385 173.2
[M+CH3COO]- 371.11950 193.2
[M+Na-2H]- 333.08032 166.1
[M]+ 312.10510 163.4
[M]- 312.10620 163.4
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

patents stripe