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

419
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 139.9
[M+Na]+ 227.05261 147.6
[M-H]- 203.05611 140.6
[M+NH4]+ 222.09721 157.6
[M+K]+ 243.02655 147.5
[M+H-H2O]+ 187.06065 135.5
[M+HCOO]- 249.06159 159.0
[M+CH3COO]- 263.07724 177.4
[M+Na-2H]- 225.03806 142.1
[M]+ 204.06284 142.2
[M]- 204.06394 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