CID 46739019

3-methoxypyridine-4-boronic acid

Structural Information

Molecular Formula
C6H8BNO3
SMILES
B(C1=C(C=NC=C1)OC)(O)O
InChI
InChI=1S/C6H8BNO3/c1-11-6-4-8-3-2-5(6)7(9)10/h2-4,9-10H,1H3
InChIKey
CJMUIIBZOBKEGZ-UHFFFAOYSA-N
Compound name
(3-methoxypyridin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

453
Patents

153.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06700 127.8
[M+Na]+ 176.04894 135.9
[M-H]- 152.05244 127.8
[M+NH4]+ 171.09354 146.3
[M+K]+ 192.02288 134.7
[M+H-H2O]+ 136.05698 122.0
[M+HCOO]- 198.05792 148.5
[M+CH3COO]- 212.07357 170.2
[M+Na-2H]- 174.03439 134.4
[M]+ 153.05917 127.8
[M]- 153.06027 127.8
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