CID 91145095

Gal-alpha(1->4)-gal group

Structural Information

Molecular Formula
C12H22O10
SMILES
C1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O
InChI
InChI=1S/C12H22O10/c13-1-5-8(17)9(18)10(19)12(21-5)22-11-6(2-14)20-3-4(15)7(11)16/h4-19H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11-,12+/m0/s1
InChIKey
HEBVRGOICSSBQA-ZYAMEUKBSA-N
Compound name
(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

326.1213 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12858 171.8
[M+Na]+ 349.11052 175.0
[M-H]- 325.11402 170.2
[M+NH4]+ 344.15512 178.4
[M+K]+ 365.08446 175.5
[M+H-H2O]+ 309.11856 165.4
[M+HCOO]- 371.11950 177.2
[M+CH3COO]- 385.13515 196.1
[M+Na-2H]- 347.09597 169.9
[M]+ 326.12075 168.1
[M]- 326.12185 168.1
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.