CID 58291210

Oligofructose

Structural Information

Molecular Formula
C18H32O16
SMILES
C([C@@H]1[C@@H](C([C@](O1)(CO)OC[C@@]2(C([C@H]([C@H](O2)CO)O)O)OC[C@@]3(C([C@H]([C@H](O3)CO)O)O)O)O)O)O
InChI
InChI=1S/C18H32O16/c19-1-7-10(23)13(26)16(29,32-7)5-30-18(15(28)12(25)9(3-21)34-18)6-31-17(4-22)14(27)11(24)8(2-20)33-17/h7-15,19-29H,1-6H2/t7-,8-,9-,10+,11+,12+,13?,14?,15?,16-,17-,18-/m1/s1
InChIKey
MKTLQAHFLNFLEU-WTORHHNNSA-N
Compound name
(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

328
References

4
Patents

504.16904 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.17632 206.4
[M+Na]+ 527.15826 205.7
[M+NH4]+ 522.20286 204.9
[M+K]+ 543.13220 209.4
[M-H]- 503.16176 197.4
[M+Na-2H]- 525.14371 211.3
[M]+ 504.16849 202.7
[M]- 504.16959 202.7
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

patents stripe