CID 165785118

2-oxabicyclo[3.1.1]heptane-5-carboxylic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
C1COC2CC1(C2)C(=O)O
InChI
InChI=1S/C7H10O3/c8-6(9)7-1-2-10-5(3-7)4-7/h5H,1-4H2,(H,8,9)
InChIKey
VKQBSJDLPLXKBB-UHFFFAOYSA-N
Compound name
2-oxabicyclo[3.1.1]heptane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 133.0
[M+Na]+ 165.05221 137.7
[M-H]- 141.05571 131.7
[M+NH4]+ 160.09681 151.9
[M+K]+ 181.02615 141.1
[M+H-H2O]+ 125.06025 125.3
[M+HCOO]- 187.06119 144.8
[M+CH3COO]- 201.07684 177.4
[M+Na-2H]- 163.03766 144.9
[M]+ 142.06244 143.8
[M]- 142.06354 143.8
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.