CID 165979206

(4-(1-methylcyclobutyl)phenyl)boronic acid

Structural Information

Molecular Formula
C11H15BO2
SMILES
B(C1=CC=C(C=C1)C2(CCC2)C)(O)O
InChI
InChI=1S/C11H15BO2/c1-11(7-2-8-11)9-3-5-10(6-4-9)12(13)14/h3-6,13-14H,2,7-8H2,1H3
InChIKey
NEIQEXHUVGUASI-UHFFFAOYSA-N
Compound name
[4-(1-methylcyclobutyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.12380 141.9
[M+Na]+ 213.10574 147.2
[M-H]- 189.10924 146.0
[M+NH4]+ 208.15034 155.6
[M+K]+ 229.07968 147.6
[M+H-H2O]+ 173.11378 132.0
[M+HCOO]- 235.11472 160.3
[M+CH3COO]- 249.13037 181.7
[M+Na-2H]- 211.09119 146.4
[M]+ 190.11597 147.9
[M]- 190.11707 147.9
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.