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]+ 193.103056 141.5
[M+Na]+ 215.084998 146.6
[M-H]- 191.088504 144.3
[M+NH4]+ 210.129603 154.3
[M+K]+ 231.058938 147.0
[M+H-H2O]+ 175.093040 131.6
[M+HCOO]- 237.093981 158.9
[M+CH3COO]- 251.109631 178.5
[M+Na-2H]- 213.070446 146.0
[M]+ 192.09523142 146.7
[M]- 192.09632858 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.