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

58
Patents

164.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10814 133.5
[M+Na]+ 187.09008 141.3
[M-H]- 163.09358 134.9
[M+NH4]+ 182.13468 153.4
[M+K]+ 203.06402 139.0
[M+H-H2O]+ 147.09812 128.7
[M+HCOO]- 209.09906 154.3
[M+CH3COO]- 223.11471 175.7
[M+Na-2H]- 185.07553 137.8
[M]+ 164.10031 133.0
[M]- 164.10141 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