CID 165944363

2,5-dioxabicyclo[2.2.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8O4
SMILES
C1C2COC1(CO2)C(=O)O
InChI
InChI=1S/C6H8O4/c7-5(8)6-1-4(2-10-6)9-3-6/h4H,1-3H2,(H,7,8)
InChIKey
OKMXSEGOUBMFJG-UHFFFAOYSA-N
Compound name
2,5-dioxabicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.04225 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 126.4
[M+Na]+ 167.03147 134.2
[M+NH4]+ 162.07607 135.9
[M+K]+ 183.00541 133.4
[M-H]- 143.03497 127.3
[M+Na-2H]- 165.01692 127.6
[M]+ 144.04170 127.5
[M]- 144.04280 127.5
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.