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

374
Patents

204.06339 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07067 141.5
[M+Na]+ 227.05261 149.3
[M+NH4]+ 222.09721 146.4
[M+K]+ 243.02655 149.8
[M-H]- 203.05611 140.0
[M+Na-2H]- 225.03806 141.4
[M]+ 204.06284 141.6
[M]- 204.06394 141.6
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

patents stripe