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

329
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 202.0
[M+Na]+ 527.15826 203.1
[M-H]- 503.16176 198.8
[M+NH4]+ 522.20286 202.4
[M+K]+ 543.13220 212.1
[M+H-H2O]+ 487.16630 194.9
[M+HCOO]- 549.16724 204.8
[M+CH3COO]- 563.18289 209.5
[M+Na-2H]- 525.14371 214.4
[M]+ 504.16849 193.7
[M]- 504.16959 193.7
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