CID 57437318

(2-ethyl-6-methylphenyl)boronic acid

Structural Information

Molecular Formula
C9H13BO2
SMILES
B(C1=C(C=CC=C1CC)C)(O)O
InChI
InChI=1S/C9H13BO2/c1-3-8-6-4-5-7(2)9(8)10(11)12/h4-6,11-12H,3H2,1-2H3
InChIKey
QDSUHZPUFWHFNI-UHFFFAOYSA-N
Compound name
(2-ethyl-6-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

164.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.108136 133.5
[M+Na]+ 187.090078 141.3
[M-H]- 163.093584 134.9
[M+NH4]+ 182.134683 153.4
[M+K]+ 203.064018 139.0
[M+H-H2O]+ 147.098120 128.7
[M+HCOO]- 209.099061 154.3
[M+CH3COO]- 223.114711 175.7
[M+Na-2H]- 185.075526 137.8
[M]+ 164.10031142 133.0
[M]- 164.10140858 133.0
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

patents stripe