CID 74890663

2,5-dimethoxypyridine-4-boronic acid

Structural Information

Molecular Formula
C7H10BNO4
SMILES
B(C1=CC(=NC=C1OC)OC)(O)O
InChI
InChI=1S/C7H10BNO4/c1-12-6-4-9-7(13-2)3-5(6)8(10)11/h3-4,10-11H,1-2H3
InChIKey
USYZNFPWBSJVMF-UHFFFAOYSA-N
Compound name
(2,5-dimethoxypyridin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

183.07028 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07756 134.7
[M+Na]+ 206.05950 143.2
[M-H]- 182.06300 135.0
[M+NH4]+ 201.10410 152.3
[M+K]+ 222.03344 142.4
[M+H-H2O]+ 166.06754 128.7
[M+HCOO]- 228.06848 155.3
[M+CH3COO]- 242.08413 176.5
[M+Na-2H]- 204.04495 140.1
[M]+ 183.06973 136.9
[M]- 183.07083 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe