CID 55269811

2-cyclobutyl-2-phenylacetic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CC(C1)C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H14O2/c13-12(14)11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,13,14)
InChIKey
DNIXVNVJYYYXSW-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

190.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 140.6
[M+Na]+ 213.088598 144.4
[M-H]- 189.092104 145.3
[M+NH4]+ 208.133203 152.5
[M+K]+ 229.062538 145.4
[M+H-H2O]+ 173.096640 129.1
[M+HCOO]- 235.097581 159.6
[M+CH3COO]- 249.113231 184.2
[M+Na-2H]- 211.074046 143.9
[M]+ 190.09883142 146.4
[M]- 190.09992858 146.4
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

patents stripe