CID 137965588

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

Structural Information

Molecular Formula
C7H10O3
SMILES
CC12CC(C1)(OC2)C(=O)O
InChI
InChI=1S/C7H10O3/c1-6-2-7(3-6,5(8)9)10-4-6/h2-4H2,1H3,(H,8,9)
InChIKey
MMIUMWSBCLBMFV-UHFFFAOYSA-N
Compound name
4-methyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

142.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 124.8
[M+Na]+ 165.05221 127.7
[M+NH4]+ 160.09681 132.7
[M+K]+ 181.02615 126.1
[M-H]- 141.05571 120.1
[M+Na-2H]- 163.03766 122.8
[M]+ 142.06244 122.7
[M]- 142.06354 122.7
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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