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
5
Annotation Hits

11
References

378
Patents

184.03717 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04445 135.6
[M+Na]+ 207.02639 142.6
[M+NH4]+ 202.07099 142.0
[M+K]+ 223.00033 144.6
[M-H]- 183.02989 133.9
[M+Na-2H]- 205.01184 134.1
[M]+ 184.03662 135.5
[M]- 184.03772 135.5
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.