CID 87235

17685-05-1

Structural Information

Molecular Formula
C12H14O7
SMILES
C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12+/m0/s1
InChIKey
WVHAUDNUGBNUDZ-GOVZDWNOSA-N
Compound name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

382
Patents

270.07394 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08122 157.0
[M+Na]+ 293.06316 166.5
[M+NH4]+ 288.10776 161.8
[M+K]+ 309.03710 164.8
[M-H]- 269.06666 158.1
[M+Na-2H]- 291.04861 159.1
[M]+ 270.07339 158.2
[M]- 270.07449 158.2
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

patents stripe