CID 89837315

[4-(1-hydroxycyclobutyl)phenyl]boronic acid

Structural Information

Molecular Formula
C10H13BO3
SMILES
B(C1=CC=C(C=C1)C2(CCC2)O)(O)O
InChI
InChI=1S/C10H13BO3/c12-10(6-1-7-10)8-2-4-9(5-3-8)11(13)14/h2-5,12-14H,1,6-7H2
InChIKey
GVZKTTKKEWDYQO-UHFFFAOYSA-N
Compound name
[4-(1-hydroxycyclobutyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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

literature stripe

Patent stripe

patents stripe