CID 131752481

Hex(?1-3)hex(?1-3)pen

Structural Information

Molecular Formula
C17H30O15
SMILES
C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O
InChI
InChI=1S/C17H30O15/c18-1-5-7(21)9(23)10(24)16(29-5)32-14-8(22)6(2-19)30-17(12(14)26)31-13-4(20)3-28-15(27)11(13)25/h4-27H,1-3H2
InChIKey
USDVNAMKKXRXGK-UHFFFAOYSA-N
Compound name
2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2,3,5-trihydroxyoxan-4-yl)oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

474.15848 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.16576 208.8
[M+Na]+ 497.14770 208.0
[M-H]- 473.15120 200.0
[M+NH4]+ 492.19230 207.4
[M+K]+ 513.12164 209.0
[M+H-H2O]+ 457.15574 202.3
[M+HCOO]- 519.15668 210.0
[M+CH3COO]- 533.17233 226.5
[M+Na-2H]- 495.13315 231.7
[M]+ 474.15793 204.0
[M]- 474.15903 204.0
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