CID 43819155

(5-methyl-6-morpholin-4-ylpyridin-3-yl)boronic acid hydrochloride

Structural Information

Molecular Formula
C10H15BN2O3
SMILES
B(C1=CC(=C(N=C1)N2CCOCC2)C)(O)O
InChI
InChI=1S/C10H15BN2O3/c1-8-6-9(11(14)15)7-12-10(8)13-2-4-16-5-3-13/h6-7,14-15H,2-5H2,1H3
InChIKey
PTYCDSJIQDOWIQ-UHFFFAOYSA-N
Compound name
(5-methyl-6-morpholin-4-ylpyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

222.11757 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12485 149.2
[M+Na]+ 245.10679 154.8
[M-H]- 221.11029 150.8
[M+NH4]+ 240.15139 161.9
[M+K]+ 261.08073 153.3
[M+H-H2O]+ 205.11483 141.0
[M+HCOO]- 267.11577 163.4
[M+CH3COO]- 281.13142 183.2
[M+Na-2H]- 243.09224 153.3
[M]+ 222.11702 145.4
[M]- 222.11812 145.4
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