CID 119077

19870-31-6

Structural Information

Molecular Formula
C11H18O8
SMILES
C=C(CCO)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
InChI
InChI=1S/C11H18O8/c1-5(2-3-12)10(16)18-4-6-7(13)8(14)9(15)11(17)19-6/h6-9,11-15,17H,1-4H2/t6-,7-,8+,9-,11-/m1/s1
InChIKey
NABVFHUVYXEKSQ-ZBGLXGBJSA-N
Compound name
[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

7
Patents

278.10016 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10744 159.5
[M+Na]+ 301.08938 163.8
[M-H]- 277.09288 156.6
[M+NH4]+ 296.13398 170.7
[M+K]+ 317.06332 163.2
[M+H-H2O]+ 261.09742 154.1
[M+HCOO]- 323.09836 170.4
[M+CH3COO]- 337.11401 189.0
[M+Na-2H]- 299.07483 157.6
[M]+ 278.09961 157.7
[M]- 278.10071 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe