CID 44148187

68758-80-5

Structural Information

Molecular Formula
C8H8O5
SMILES
C1=C[C@@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O
InChI
InChI=1S/C8H8O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h1-6H,(H,9,10)(H,11,12)/t3-,4-,5-,6+/m1/s1
InChIKey
ROWKCXLLOLDVIO-KAZBKCHUSA-N
Compound name
(1R,2S,3R,4R)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11
References

500
Patents

184.03717 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.044446 135.6
[M+Na]+ 207.026388 143.5
[M-H]- 183.029894 137.1
[M+NH4]+ 202.070993 157.8
[M+K]+ 223.000328 143.3
[M+H-H2O]+ 167.034430 132.8
[M+HCOO]- 229.035371 154.1
[M+CH3COO]- 243.051021 175.9
[M+Na-2H]- 205.011836 138.5
[M]+ 184.03662142 136.8
[M]- 184.03771858 136.8
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.