CID 46735167

6-(morpholino)pyridine-3-boronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C9H13BN2O3
SMILES
B(C1=CN=C(C=C1)N2CCOCC2)(O)O
InChI
InChI=1S/C9H13BN2O3/c13-10(14)8-1-2-9(11-7-8)12-3-5-15-6-4-12/h1-2,7,13-14H,3-6H2
InChIKey
FFPQELNXDVTLEW-UHFFFAOYSA-N
Compound name
(6-morpholin-4-ylpyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

391
Patents

208.10193 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10921 144.3
[M+Na]+ 231.09115 149.4
[M-H]- 207.09465 145.6
[M+NH4]+ 226.13575 157.2
[M+K]+ 247.06509 148.1
[M+H-H2O]+ 191.09919 136.0
[M+HCOO]- 253.10013 158.9
[M+CH3COO]- 267.11578 179.0
[M+Na-2H]- 229.07660 149.6
[M]+ 208.10138 139.7
[M]- 208.10248 139.7
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