CID 14582632

G11297if

Structural Information

Molecular Formula
C17H30O14
SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(COC3O)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C17H30O14/c1-4-7(20)10(23)12(25)16(28-4)31-14-11(24)9(22)6(2-18)29-17(14)30-13-8(21)5(19)3-27-15(13)26/h4-26H,2-3H2,1H3
InChIKey
DPTWUYFOEZBIEX-UHFFFAOYSA-N
Compound name
2-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,4,5-trihydroxyoxan-3-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.16354 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.17082 208.6
[M+Na]+ 481.15276 208.2
[M-H]- 457.15626 199.9
[M+NH4]+ 476.19736 207.4
[M+K]+ 497.12670 208.5
[M+H-H2O]+ 441.16080 201.8
[M+HCOO]- 503.16174 209.9
[M+CH3COO]- 517.17739 224.8
[M+Na-2H]- 479.13821 231.6
[M]+ 458.16299 204.6
[M]- 458.16409 204.6
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

No patent data available for this compound.