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 125.4
[M+Na]+ 165.05221 130.3
[M+NH4]+ 160.09681 132.6
[M+K]+ 181.02615 126.0
[M-H]- 141.05571 121.4
[M+Na-2H]- 163.03766 122.8
[M]+ 142.06244 123.8
[M]- 142.06354 123.8
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.