CID 23546910

846548-44-5

Structural Information

Molecular Formula
C7H10BNO2
SMILES
B(C1=CC(=NC(=C1)C)C)(O)O
InChI
InChI=1S/C7H10BNO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4,10-11H,1-2H3
InChIKey
ALGDKINLACWIRM-UHFFFAOYSA-N
Compound name
(2,6-dimethylpyridin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

405
Patents

151.08046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08774 129.0
[M+Na]+ 174.06968 137.7
[M-H]- 150.07318 129.3
[M+NH4]+ 169.11428 148.1
[M+K]+ 190.04362 135.8
[M+H-H2O]+ 134.07772 123.6
[M+HCOO]- 196.07866 149.2
[M+CH3COO]- 210.09431 172.3
[M+Na-2H]- 172.05513 134.4
[M]+ 151.07991 128.4
[M]- 151.08101 128.4
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