CID 16217845

Cyclobutylboronic acid

Structural Information

Molecular Formula
C4H9BO2
SMILES
B(C1CCC1)(O)O
InChI
InChI=1S/C4H9BO2/c6-5(7)4-2-1-3-4/h4,6-7H,1-3H2
InChIKey
MIUALDDWOKMYDA-UHFFFAOYSA-N
Compound name
cyclobutylboronic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

464
Patents

100.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07684 117.3
[M+Na]+ 123.05878 122.1
[M-H]- 99.062284 118.1
[M+NH4]+ 118.10338 132.4
[M+K]+ 139.03272 124.7
[M+H-H2O]+ 83.066820 107.9
[M+HCOO]- 145.06776 136.2
[M+CH3COO]- 159.08341 165.0
[M+Na-2H]- 121.04423 122.5
[M]+ 100.06901 122.3
[M]- 100.07011 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe