CID 122706204

(4r,5r)-3,4,5-trihydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one

Structural Information

Molecular Formula
C8H12O6
SMILES
COC1=C([C@@H]([C@@](CC1=O)(CO)O)O)O
InChI
InChI=1S/C8H12O6/c1-14-6-4(10)2-8(13,3-9)7(12)5(6)11/h7,9,11-13H,2-3H2,1H3/t7-,8+/m0/s1
InChIKey
KENOUOLPKKQXMX-JGVFFNPUSA-N
Compound name
(4R,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

204.06339 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07067 140.2
[M+Na]+ 227.05261 149.1
[M+NH4]+ 222.09721 146.7
[M+K]+ 243.02655 145.2
[M-H]- 203.05611 137.9
[M+Na-2H]- 225.03806 142.9
[M]+ 204.06284 140.5
[M]- 204.06394 140.5
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.