CID 71314996

214689-30-2

Structural Information

Molecular Formula
C15H16O9
SMILES
C1=CC(=CC=C1/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C15H16O9/c16-9(17)6-3-7-1-4-8(5-2-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b6-3+/t10-,11-,12+,13-,15+/m0/s1
InChIKey
SOKJXEKPKWKYKR-KPGYTNHDSA-N
Compound name
(2S,3S,4S,5R,6S)-6-[4-[(E)-2-carboxyethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

340.07944 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08672 171.7
[M+Na]+ 363.06866 176.2
[M-H]- 339.07216 172.3
[M+NH4]+ 358.11326 179.9
[M+K]+ 379.04260 175.0
[M+H-H2O]+ 323.07670 164.8
[M+HCOO]- 385.07764 183.0
[M+CH3COO]- 399.09329 200.6
[M+Na-2H]- 361.05411 169.9
[M]+ 340.07889 170.1
[M]- 340.07999 170.1
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.