CID 132372755

4-phenylbicyclo[2.1.1]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C13H14O2
SMILES
C1CC2(CC1(C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C13H14O2/c14-11(15)13-7-6-12(8-13,9-13)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)
InChIKey
BYDRCVXIQZGOAB-UHFFFAOYSA-N
Compound name
4-phenylbicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

202.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.106656 153.2
[M+Na]+ 225.088598 159.4
[M-H]- 201.092104 156.7
[M+NH4]+ 220.133203 175.8
[M+K]+ 241.062538 158.2
[M+H-H2O]+ 185.096640 145.9
[M+HCOO]- 247.097581 169.9
[M+CH3COO]- 261.113231 165.1
[M+Na-2H]- 223.074046 160.0
[M]+ 202.09883142 164.5
[M]- 202.09992858 164.5
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

patents stripe