CID 21771334

Fucosyllactose

Structural Information

Molecular Formula
C18H32O15
SMILES
CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H](CO2)O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C18H32O15/c1-28-16-14(27)15(33-18-13(26)11(24)9(22)6(2-19)31-18)10(23)7(32-16)4-30-17-12(25)8(21)5(20)3-29-17/h5-27H,2-4H2,1H3/t5-,6-,7-,8+,9-,10-,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1
InChIKey
RTVRUWIBAVHRQX-PMEZUWKYSA-N
Compound name
(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-2-methoxy-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2753
Patents

488.17413 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.18141 212.5
[M+Na]+ 511.16335 211.6
[M+NH4]+ 506.20795 210.9
[M+K]+ 527.13729 216.8
[M-H]- 487.16685 203.4
[M+Na-2H]- 509.14880 229.1
[M]+ 488.17358 208.7
[M]- 488.17468 208.7
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