CID 54750753

(5r)-5-[(1s)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one

Structural Information

Molecular Formula
C7H10O6
SMILES
C[C@]1(C(=C(C(=O)O1)O)O)[C@H](CO)O
InChI
InChI=1S/C7H10O6/c1-7(3(9)2-8)5(11)4(10)6(12)13-7/h3,8-11H,2H2,1H3/t3-,7+/m0/s1
InChIKey
COBKSGNGDLRBNE-CLTAVNFZSA-N
Compound name
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

190.04774 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05502 134.7
[M+Na]+ 213.03696 143.3
[M-H]- 189.04046 134.6
[M+NH4]+ 208.08156 154.3
[M+K]+ 229.01090 142.8
[M+H-H2O]+ 173.04500 131.9
[M+HCOO]- 235.04594 152.5
[M+CH3COO]- 249.06159 171.7
[M+Na-2H]- 211.02241 138.5
[M]+ 190.04719 135.2
[M]- 190.04829 135.2
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