CID 2763271

579525-46-5

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)pyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

897
Patents

166.09135 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.09863 133.2
[M+Na]+ 189.08057 140.2
[M-H]- 165.08407 134.6
[M+NH4]+ 184.12517 151.6
[M+K]+ 205.05451 139.6
[M+H-H2O]+ 149.08861 126.8
[M+HCOO]- 211.08955 155.0
[M+CH3COO]- 225.10520 179.5
[M+Na-2H]- 187.06602 138.9
[M]+ 166.09080 132.6
[M]- 166.09190 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