CID 5288331

2,6-anhydro-3-deoxy-l-threo-hex-2-enonic acid

Structural Information

Molecular Formula
C6H8O5
SMILES
C1[C@@H]([C@H](C=C(O1)C(=O)O)O)O
InChI
InChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/t3-,4-/m0/s1
InChIKey
GQECVRZDTXJRPX-IMJSIDKUSA-N
Compound name
(3S,4S)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.03717 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.044446 128.7
[M+Na]+ 183.026388 135.7
[M-H]- 159.029894 129.3
[M+NH4]+ 178.070993 146.2
[M+K]+ 199.000328 135.7
[M+H-H2O]+ 143.034430 124.0
[M+HCOO]- 205.035371 146.2
[M+CH3COO]- 219.051021 168.2
[M+Na-2H]- 181.011836 133.5
[M]+ 160.03662142 126.4
[M]- 160.03771858 126.4
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.