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]+ 191.05502 135.5
[M+Na]+ 213.03696 142.9
[M-H]- 189.04046 136.2
[M+NH4]+ 208.08156 152.0
[M+K]+ 229.01090 143.3
[M+H-H2O]+ 173.04500 130.6
[M+HCOO]- 235.04594 152.8
[M+CH3COO]- 249.06159 174.2
[M+Na-2H]- 211.02241 139.2
[M]+ 190.04719 135.4
[M]- 190.04829 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.