CID 131676938

2121514-98-3

Structural Information

Molecular Formula
C8H12BNO4
SMILES
B(C1=CC(=C(N=C1OC)OC)C)(O)O
InChI
InChI=1S/C8H12BNO4/c1-5-4-6(9(11)12)8(14-3)10-7(5)13-2/h4,11-12H,1-3H3
InChIKey
UWFFAOLMNDPOIN-UHFFFAOYSA-N
Compound name
(2,6-dimethoxy-5-methylpyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09322 138.9
[M+Na]+ 220.07516 147.9
[M-H]- 196.07866 139.4
[M+NH4]+ 215.11976 156.2
[M+K]+ 236.04910 146.9
[M+H-H2O]+ 180.08320 133.0
[M+HCOO]- 242.08414 159.2
[M+CH3COO]- 256.09979 180.8
[M+Na-2H]- 218.06061 143.1
[M]+ 197.08539 141.9
[M]- 197.08649 141.9
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

No patent data available for this compound.