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]+ 191.10666 140.6
[M+Na]+ 213.08860 144.4
[M-H]- 189.09210 145.3
[M+NH4]+ 208.13320 152.5
[M+K]+ 229.06254 145.4
[M+H-H2O]+ 173.09664 129.1
[M+HCOO]- 235.09758 159.6
[M+CH3COO]- 249.11323 184.2
[M+Na-2H]- 211.07405 143.9
[M]+ 190.09883 146.4
[M]- 190.09993 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