CID 145710456

2-fucosyllactose

Structural Information

Molecular Formula
C18H32O15
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C18H32O15/c1-5-9(23)12(26)14(28)17(30-5)32-8(4-21)11(25)16(6(22)2-19)33-18-15(29)13(27)10(24)7(3-20)31-18/h4-20,22-29H,2-3H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12+,13-,14-,15+,16+,17-,18-/m0/s1
InChIKey
CNOJZZIJFPFCLH-FDDKECLWSA-N
Compound name
(2R,3S,4R,5R)-3,5,6-trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

264
References

0
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 209.8
[M+Na]+ 511.16335 210.5
[M+NH4]+ 506.20795 209.7
[M+K]+ 527.13729 213.2
[M-H]- 487.16685 202.2
[M+Na-2H]- 509.14880 227.7
[M]+ 488.17358 207.5
[M]- 488.17468 207.5
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

No patent data available for this compound.