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]+ 161.04445 128.7
[M+Na]+ 183.02639 135.7
[M-H]- 159.02989 129.3
[M+NH4]+ 178.07099 146.2
[M+K]+ 199.00033 135.7
[M+H-H2O]+ 143.03443 124.0
[M+HCOO]- 205.03537 146.2
[M+CH3COO]- 219.05102 168.2
[M+Na-2H]- 181.01184 133.5
[M]+ 160.03662 126.4
[M]- 160.03772 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.