CID 445012

Refchem:684084

Structural Information

Molecular Formula
C8H14O5
SMILES
C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)OC(=O)C
InChI
InChI=1S/C8H14O5/c1-4-8(13-5(2)9)6(10)3-7(11)12-4/h4,6-8,10-11H,3H2,1-2H3/t4-,6-,7-,8+/m1/s1
InChIKey
VJCDYXNEQSTOMG-JBBNEOJLSA-N
Compound name
[(2R,3R,4R,6R)-4,6-dihydroxy-2-methyloxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08412 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.091396 138.6
[M+Na]+ 213.073338 145.2
[M-H]- 189.076844 140.2
[M+NH4]+ 208.117943 155.9
[M+K]+ 229.047278 145.9
[M+H-H2O]+ 173.081380 133.7
[M+HCOO]- 235.082321 155.4
[M+CH3COO]- 249.097971 177.7
[M+Na-2H]- 211.058786 141.3
[M]+ 190.08357142 137.8
[M]- 190.08466858 137.8
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.