CID 16217773

4-isobutoxyphenylboronic acid

Structural Information

Molecular Formula
C10H15BO3
SMILES
B(C1=CC=C(C=C1)OCC(C)C)(O)O
InChI
InChI=1S/C10H15BO3/c1-8(2)7-14-10-5-3-9(4-6-10)11(12)13/h3-6,8,12-13H,7H2,1-2H3
InChIKey
UCIPLLNDFCCBAC-UHFFFAOYSA-N
Compound name
[4-(2-methylpropoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

194.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11870 142.1
[M+Na]+ 217.10064 148.2
[M-H]- 193.10414 143.0
[M+NH4]+ 212.14524 160.3
[M+K]+ 233.07458 146.7
[M+H-H2O]+ 177.10868 136.6
[M+HCOO]- 239.10962 161.8
[M+CH3COO]- 253.12527 180.5
[M+Na-2H]- 215.08609 145.2
[M]+ 194.11087 142.4
[M]- 194.11197 142.4
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