CID 165997225

2246856-38-0

Structural Information

Molecular Formula
C10H15BO3
SMILES
B(C1=CC=C(C=C1)C(C)(C)OC)(O)O
InChI
InChI=1S/C10H15BO3/c1-10(2,14-3)8-4-6-9(7-5-8)11(12)13/h4-7,12-13H,1-3H3
InChIKey
FAPCZKFQKUJNHS-UHFFFAOYSA-N
Compound name
[4-(2-methoxypropan-2-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11870 141.5
[M+Na]+ 217.10064 148.3
[M-H]- 193.10414 142.6
[M+NH4]+ 212.14524 159.9
[M+K]+ 233.07458 146.8
[M+H-H2O]+ 177.10868 136.6
[M+HCOO]- 239.10962 160.6
[M+CH3COO]- 253.12527 180.0
[M+Na-2H]- 215.08609 146.7
[M]+ 194.11087 142.0
[M]- 194.11197 142.0
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.