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 125.4
[M+Na]+ 167.03147 133.1
[M-H]- 143.03497 128.3
[M+NH4]+ 162.07607 150.3
[M+K]+ 183.00541 134.7
[M+H-H2O]+ 127.03951 123.2
[M+HCOO]- 189.04045 144.3
[M+CH3COO]- 203.05610 167.8
[M+Na-2H]- 165.01692 133.1
[M]+ 144.04170 126.3
[M]- 144.04280 126.3
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.