CID 155943264

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

Structural Information

Molecular Formula
C12H12O3
SMILES
C1C2(CC1(OC2)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C12H12O3/c13-10(14)12-6-11(7-12,8-15-12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)
InChIKey
IQUQCYAIOMKYMU-UHFFFAOYSA-N
Compound name
4-phenyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 137.3
[M+Na]+ 227.06786 142.1
[M+NH4]+ 222.11246 145.7
[M+K]+ 243.04180 139.2
[M-H]- 203.07136 135.2
[M+Na-2H]- 225.05331 138.1
[M]+ 204.07809 136.4
[M]- 204.07919 136.4
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.