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
(1S,2R,4S,5R,6S,7R)-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]+ 201.03937 140.4
[M+Na]+ 223.02131 149.2
[M+NH4]+ 218.06591 147.7
[M+K]+ 238.99525 152.8
[M-H]- 199.02481 147.0
[M+Na-2H]- 221.00676 139.7
[M]+ 200.03154 144.2
[M]- 200.03264 144.2
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.