CID 439336

Galactomannan

Structural Information

Molecular Formula
C18H32O16
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-15(11(25)12(26)16(29)31-6)34-18-14(28)10(24)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11-,12+,13-,14+,15-,16-,17+,18+/m1/s1
InChIKey
OMDQUFIYNPYJFM-XKDAHURESA-N
Compound name
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1556
References

33255
Patents

504.16904 Da
Monoisotopic Mass

-6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.17632 211.7
[M+Na]+ 527.15826 210.9
[M-H]- 503.16176 203.0
[M+NH4]+ 522.20286 210.4
[M+K]+ 543.13220 212.0
[M+H-H2O]+ 487.16630 205.8
[M+HCOO]- 549.16724 212.9
[M+CH3COO]- 563.18289 217.6
[M+Na-2H]- 525.14371 235.1
[M]+ 504.16849 206.6
[M]- 504.16959 206.6
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.