CID 134820351

4-deoxy-6-o-methyl-l-threo-hex-4-enopyranuronate

Structural Information

Molecular Formula
C7H10O6
SMILES
COC(=O)C1=C[C@@H]([C@H](C(O1)O)O)O
InChI
InChI=1S/C7H10O6/c1-12-6(10)4-2-3(8)5(9)7(11)13-4/h2-3,5,7-9,11H,1H3/t3-,5+,7?/m0/s1
InChIKey
KNJLRCXIQHOXIL-GRQBSOMGSA-N
Compound name
methyl (3R,4S)-2,3,4-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.04774 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.055016 135.5
[M+Na]+ 213.036958 142.9
[M-H]- 189.040464 136.2
[M+NH4]+ 208.081563 152.0
[M+K]+ 229.010898 143.3
[M+H-H2O]+ 173.045000 130.6
[M+HCOO]- 235.045941 152.8
[M+CH3COO]- 249.061591 174.2
[M+Na-2H]- 211.022406 139.2
[M]+ 190.04719142 135.4
[M]- 190.04828858 135.4
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

No patent data available for this compound.