CID 137964729

2-oxabicyclo[2.1.1]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8O3
SMILES
C1C2CC1(OC2)C(=O)O
InChI
InChI=1S/C6H8O3/c7-5(8)6-1-4(2-6)3-9-6/h4H,1-3H2,(H,7,8)
InChIKey
RHJXUKZPHJCBLA-UHFFFAOYSA-N
Compound name
2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

128.04735 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 119.1
[M+Na]+ 151.03657 122.2
[M+NH4]+ 146.08117 125.9
[M+K]+ 167.01051 122.6
[M-H]- 127.04007 114.5
[M+Na-2H]- 149.02202 116.0
[M]+ 128.04680 116.9
[M]- 128.04790 116.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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