CID 54694369

112894-37-8

Structural Information

Molecular Formula
C8H12O6
SMILES
CCOC1=C([C@H](OC1=O)[C@H](CO)O)O
InChI
InChI=1S/C8H12O6/c1-2-13-7-5(11)6(4(10)3-9)14-8(7)12/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1
InChIKey
GXRFOOHMMLYYNW-UJURSFKZSA-N
Compound name
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

385
Patents

204.06339 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.070666 139.9
[M+Na]+ 227.052608 147.6
[M-H]- 203.056114 140.6
[M+NH4]+ 222.097213 157.6
[M+K]+ 243.026548 147.5
[M+H-H2O]+ 187.060650 135.5
[M+HCOO]- 249.061591 159.0
[M+CH3COO]- 263.077241 177.4
[M+Na-2H]- 225.038056 142.1
[M]+ 204.06284142 142.2
[M]- 204.06393858 142.2
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