CID 84082105

2-(3-phenylcyclobutyl)acetic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
C1C(CC1C2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C12H14O2/c13-12(14)8-9-6-11(7-9)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,13,14)
InChIKey
WDIVKTBRLNDZIJ-UHFFFAOYSA-N
Compound name
2-(3-phenylcyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 139.0
[M+Na]+ 213.088598 143.9
[M-H]- 189.092104 144.0
[M+NH4]+ 208.133203 151.2
[M+K]+ 229.062538 144.5
[M+H-H2O]+ 173.096640 127.7
[M+HCOO]- 235.097581 158.9
[M+CH3COO]- 249.113231 184.4
[M+Na-2H]- 211.074046 142.9
[M]+ 190.09883142 145.7
[M]- 190.09992858 145.7
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.