CID 45787278

(3-cyclobutylphenyl)boronic acid

Structural Information

Molecular Formula
C10H13BO2
SMILES
B(C1=CC(=CC=C1)C2CCC2)(O)O
InChI
InChI=1S/C10H13BO2/c12-11(13)10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8,12-13H,1,3-4H2
InChIKey
DIBZIPRWPYPKLE-UHFFFAOYSA-N
Compound name
(3-cyclobutylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

176.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10814 134.9
[M+Na]+ 199.09008 139.6
[M-H]- 175.09358 138.7
[M+NH4]+ 194.13468 147.1
[M+K]+ 215.06402 140.2
[M+H-H2O]+ 159.09812 124.0
[M+HCOO]- 221.09906 153.6
[M+CH3COO]- 235.11471 179.3
[M+Na-2H]- 197.07553 139.0
[M]+ 176.10031 140.2
[M]- 176.10141 140.2
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