CID 3010288

Mannotriose & mvl

Structural Information

Molecular Formula
C19H34O16
SMILES
COC1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)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/C19H34O16/c1-30-17-15(29)16(35-19-14(28)12(26)9(23)6(3-21)33-19)10(24)7(34-17)4-31-18-13(27)11(25)8(22)5(2-20)32-18/h5-29H,2-4H2,1H3/t5-,6-,7-,8-,9-,10-,11+,12+,13+,14+,15+,16+,17?,18+,19-/m1/s1
InChIKey
DCXPDWNLLMVYGH-UJNCLYCHSA-N
Compound name
(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S)-3,5-dihydroxy-6-methoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

518.1847 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.19198 216.2
[M+Na]+ 541.17392 215.5
[M-H]- 517.17742 207.7
[M+NH4]+ 536.21852 214.9
[M+K]+ 557.14786 215.8
[M+H-H2O]+ 501.18196 210.2
[M+HCOO]- 563.18290 217.3
[M+CH3COO]- 577.19855 236.7
[M+Na-2H]- 539.15937 239.5
[M]+ 518.18415 211.3
[M]- 518.18525 211.3
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.