CID 2795363

4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine

Structural Information

Molecular Formula
C15H23BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCOCC3
InChI
InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(17-11-12)18-7-9-19-10-8-18/h5-6,11H,7-10H2,1-4H3
InChIKey
ZGDLVKWIZHHWIR-UHFFFAOYSA-N
Compound name
4-[5-(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

2604
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

literature stripe

Patent stripe

patents stripe