CID 2763121

1000802-75-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

167.07538 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.082656 132.0
[M+Na]+ 190.064598 140.6
[M-H]- 166.068104 132.3
[M+NH4]+ 185.109203 150.3
[M+K]+ 206.038538 139.2
[M+H-H2O]+ 150.072640 126.3
[M+HCOO]- 212.073581 152.4
[M+CH3COO]- 226.089231 174.4
[M+Na-2H]- 188.050046 137.4
[M]+ 167.07483142 132.8
[M]- 167.07592858 132.8
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