CID 170484

2'-fucosyllactose

Structural Information

Molecular Formula
C18H32O15
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C18H32O15/c1-5-9(24)12(27)14(29)17(30-5)33-16-13(28)11(26)8(4-21)31-18(16)32-15(7(23)3-20)10(25)6(22)2-19/h2,5-18,20-29H,3-4H2,1H3/t5-,6-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17-,18-/m0/s1
InChIKey
HWHQUWQCBPAQQH-BWRPKUOHSA-N
Compound name
(2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

274
References

4547
Patents

488.17413 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.18141 209.4
[M+Na]+ 511.16335 208.3
[M-H]- 487.16685 204.2
[M+NH4]+ 506.20795 208.8
[M+K]+ 527.13729 206.8
[M+H-H2O]+ 471.17139 199.1
[M+HCOO]- 533.17233 211.3
[M+CH3COO]- 547.18798 228.9
[M+Na-2H]- 509.14880 233.2
[M]+ 488.17358 211.4
[M]- 488.17468 211.4
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