CID 97545874

151843-05-9

Structural Information

Molecular Formula
C14H26O11
SMILES
CCO[C@H]1[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)O
InChI
InChI=1S/C14H26O11/c1-2-22-13-11(20)10(19)8(17)6(25-13)4-23-14-12(21)9(18)7(16)5(3-15)24-14/h5-21H,2-4H2,1H3/t5-,6-,7+,8+,9+,10+,11-,12-,13-,14-/m1/s1
InChIKey
AWHCMAHYNRUGIC-ZWNWPIOYSA-N
Compound name
(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14752 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15480 182.2
[M+Na]+ 393.13674 185.1
[M-H]- 369.14024 180.6
[M+NH4]+ 388.18134 187.2
[M+K]+ 409.11068 186.2
[M+H-H2O]+ 353.14478 175.4
[M+HCOO]- 415.14572 187.0
[M+CH3COO]- 429.16137 206.3
[M+Na-2H]- 391.12219 179.1
[M]+ 370.14697 181.1
[M]- 370.14807 181.1
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.