CID 47806

3-phenylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
C1C(CC1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H12O2/c12-11(13)10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
InChIKey
KOSJHQBPJQYNTB-UHFFFAOYSA-N
Compound name
3-phenylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

108
Patents

176.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 136.4
[M+Na]+ 199.07294 144.1
[M+NH4]+ 194.11754 141.1
[M+K]+ 215.04688 140.3
[M-H]- 175.07644 136.6
[M+Na-2H]- 197.05839 141.1
[M]+ 176.08317 136.3
[M]- 176.08427 136.3
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

patents stripe