CID 2763271

2-(n,n-dimethylamino)pyridine-5-boronic acid dihydrochloride

Structural Information

Molecular Formula
C7H11BN2O2
SMILES
B(C1=CN=C(C=C1)N(C)C)(O)O
InChI
InChI=1S/C7H11BN2O2/c1-10(2)7-4-3-6(5-9-7)8(11)12/h3-5,11-12H,1-2H3
InChIKey
NIDRXNINGRRBFV-UHFFFAOYSA-N
Compound name
[6-(dimethylamino)-3-pyridinyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

873
Patents

166.09135 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.098626 133.2
[M+Na]+ 189.080568 140.2
[M-H]- 165.084074 134.6
[M+NH4]+ 184.125173 151.6
[M+K]+ 205.054508 139.6
[M+H-H2O]+ 149.088610 126.8
[M+HCOO]- 211.089551 155.0
[M+CH3COO]- 225.105201 179.5
[M+Na-2H]- 187.066016 138.9
[M]+ 166.09080142 132.6
[M]- 166.09189858 132.6
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