CID 4589190

216393-63-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

269
Patents

194.11142 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11870 141.3
[M+Na]+ 217.10064 148.3
[M-H]- 193.10414 142.6
[M+NH4]+ 212.14524 159.8
[M+K]+ 233.07458 146.9
[M+H-H2O]+ 177.10868 136.1
[M+HCOO]- 239.10962 161.0
[M+CH3COO]- 253.12527 181.7
[M+Na-2H]- 215.08609 143.8
[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

literature stripe

Patent stripe

patents stripe