CID 138040134

2247103-62-2

Structural Information

Molecular Formula
C8H10O3
SMILES
C1C=CC2CC1(CO2)C(=O)O
InChI
InChI=1S/C8H10O3/c9-7(10)8-3-1-2-6(4-8)11-5-8/h1-2,6H,3-5H2,(H,9,10)
InChIKey
ZUHYCDJDAKWGBH-UHFFFAOYSA-N
Compound name
6-oxabicyclo[3.2.1]oct-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 129.8
[M+Na]+ 177.05221 136.8
[M-H]- 153.05571 131.9
[M+NH4]+ 172.09681 153.9
[M+K]+ 193.02615 136.5
[M+H-H2O]+ 137.06025 126.1
[M+HCOO]- 199.06119 148.1
[M+CH3COO]- 213.07684 171.0
[M+Na-2H]- 175.03766 137.7
[M]+ 154.06244 128.6
[M]- 154.06354 128.6
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.