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-oxo-3-pyridinyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

167.07538 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.082656 130.5
[M+Na]+ 190.064598 140.3
[M-H]- 166.068104 131.2
[M+NH4]+ 185.109203 149.1
[M+K]+ 206.038538 138.3
[M+H-H2O]+ 150.072640 125.1
[M+HCOO]- 212.073581 151.0
[M+CH3COO]- 226.089231 174.9
[M+Na-2H]- 188.050046 135.1
[M]+ 167.07483142 130.9
[M]- 167.07592858 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