CID 2734348

3,4-dimethylphenylboronic acid

Structural Information

Molecular Formula
C8H11BO2
SMILES
B(C1=CC(=C(C=C1)C)C)(O)O
InChI
InChI=1S/C8H11BO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5,10-11H,1-2H3
InChIKey
KDVZJKOYSOFXRV-UHFFFAOYSA-N
Compound name
(3,4-dimethylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1360
Patents

150.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09248 128.8
[M+Na]+ 173.07442 137.1
[M-H]- 149.07792 130.4
[M+NH4]+ 168.11902 149.3
[M+K]+ 189.04836 135.0
[M+H-H2O]+ 133.08246 124.2
[M+HCOO]- 195.08340 149.9
[M+CH3COO]- 209.09905 172.6
[M+Na-2H]- 171.05987 133.6
[M]+ 150.08465 128.0
[M]- 150.08575 128.0
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