CID 21081661

4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine

Structural Information

Molecular Formula
C15H23BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)N3CCOCC3
InChI
InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-5-6-17-13(11-12)18-7-9-19-10-8-18/h5-6,11H,7-10H2,1-4H3
InChIKey
HZJIGVGLNZISJU-UHFFFAOYSA-N
Compound name
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

290.18018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18746 165.4
[M+Na]+ 313.16940 172.4
[M-H]- 289.17290 174.0
[M+NH4]+ 308.21400 179.8
[M+K]+ 329.14334 173.6
[M+H-H2O]+ 273.17744 157.4
[M+HCOO]- 335.17838 179.3
[M+CH3COO]- 349.19403 176.8
[M+Na-2H]- 311.15485 169.2
[M]+ 290.17963 165.3
[M]- 290.18073 165.3
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