CID 3037307

109362-23-4

Structural Information

Molecular Formula
C8H8O6
SMILES
[C@H]1([C@@H]([C@@H]2[C@H]3[C@@H]([C@H]1O2)O3)C(=O)O)C(=O)O
InChI
InChI=1S/C8H8O6/c9-7(10)1-2(8(11)12)4-6-5(14-6)3(1)13-4/h1-6H,(H,9,10)(H,11,12)/t1-,2+,3+,4-,5-,6+
InChIKey
FMRCEJUVGXALMV-SPNMXKBISA-N
Compound name
(1R,2S,4R,5S,6R,7S)-3,8-dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.03209 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.039366 135.8
[M+Na]+ 223.021308 146.5
[M-H]- 199.024814 139.8
[M+NH4]+ 218.065913 152.3
[M+K]+ 238.995248 144.8
[M+H-H2O]+ 183.029350 133.7
[M+HCOO]- 245.030291 150.6
[M+CH3COO]- 259.045941 183.9
[M+Na-2H]- 221.006756 140.2
[M]+ 200.03154142 142.1
[M]- 200.03263858 142.1
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.