CID 89802358

(1,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)boronic acid

Structural Information

Molecular Formula
C7H10BNO3
SMILES
B(C1=CC=C(N(C1=O)C)C)(O)O
InChI
InChI=1S/C7H10BNO3/c1-5-3-4-6(8(11)12)7(10)9(5)2/h3-4,11-12H,1-2H3
InChIKey
NWPRZOPXLBPZCK-UHFFFAOYSA-N
Compound name
(1,6-dimethyl-2-oxopyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

167.07538 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08266 130.5
[M+Na]+ 190.06460 140.3
[M-H]- 166.06810 131.2
[M+NH4]+ 185.10920 149.1
[M+K]+ 206.03854 138.3
[M+H-H2O]+ 150.07264 125.1
[M+HCOO]- 212.07358 151.0
[M+CH3COO]- 226.08923 174.9
[M+Na-2H]- 188.05005 135.1
[M]+ 167.07483 130.9
[M]- 167.07593 130.9
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