CID 167844

Brn 0192356

Structural Information

Molecular Formula
C8H8O5
SMILES
C1CC2C(=C(C1O2)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/h3-4H,1-2H2,(H,9,10)(H,11,12)
InChIKey
SSYFZUVBHHVNMR-UHFFFAOYSA-N
Compound name
7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

184.03717 Da
Monoisotopic Mass

-0.6
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

literature stripe

Patent stripe

patents stripe