CID 125458014

[3-(1-hydroxycyclobutyl)phenyl]boronic acid

Structural Information

Molecular Formula
C10H13BO3
SMILES
B(C1=CC(=CC=C1)C2(CCC2)O)(O)O
InChI
InChI=1S/C10H13BO3/c12-10(5-2-6-10)8-3-1-4-9(7-8)11(13)14/h1,3-4,7,12-14H,2,5-6H2
InChIKey
PFMRYOOBYUZAID-UHFFFAOYSA-N
Compound name
[3-(1-hydroxycyclobutyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10306 141.5
[M+Na]+ 215.08500 146.6
[M-H]- 191.08850 144.3
[M+NH4]+ 210.12960 154.3
[M+K]+ 231.05894 147.0
[M+H-H2O]+ 175.09304 131.6
[M+HCOO]- 237.09398 158.9
[M+CH3COO]- 251.10963 178.5
[M+Na-2H]- 213.07045 146.0
[M]+ 192.09523 146.7
[M]- 192.09633 146.7
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.