CID 445037

4-deoxy-delta(4)-beta-d-glcpa

Structural Information

Molecular Formula
C6H8O6
SMILES
C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O
InChI
InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6+/m0/s1
InChIKey
IAKKJSVSFCTLRY-YKKSOZKNSA-N
Compound name
(2R,3R,4S)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

176.03209 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03937 131.6
[M+Na]+ 199.02131 139.0
[M-H]- 175.02481 131.1
[M+NH4]+ 194.06591 147.9
[M+K]+ 214.99525 138.7
[M+H-H2O]+ 159.02935 127.0
[M+HCOO]- 221.03029 147.7
[M+CH3COO]- 235.04594 169.7
[M+Na-2H]- 197.00676 135.3
[M]+ 176.03154 129.4
[M]- 176.03264 129.4
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.