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 135.8
[M+Na]+ 223.02131 146.5
[M-H]- 199.02481 139.8
[M+NH4]+ 218.06591 152.3
[M+K]+ 238.99525 144.8
[M+H-H2O]+ 183.02935 133.7
[M+HCOO]- 245.03029 150.6
[M+CH3COO]- 259.04594 183.9
[M+Na-2H]- 221.00676 140.2
[M]+ 200.03154 142.1
[M]- 200.03264 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.