CID 49760500

1285530-34-8

Structural Information

Molecular Formula
C14H21BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)NC(=O)CC
InChI
InChI=1S/C14H21BN2O3/c1-6-12(18)17-11-9-10(7-8-16-11)15-19-13(2,3)14(4,5)20-15/h7-9H,6H2,1-5H3,(H,16,17,18)
InChIKey
VWFAYTBEOKBEDL-UHFFFAOYSA-N
Compound name
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

276.16452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17180 160.5
[M+Na]+ 299.15374 168.7
[M-H]- 275.15724 167.8
[M+NH4]+ 294.19834 178.6
[M+K]+ 315.12768 169.0
[M+H-H2O]+ 259.16178 154.8
[M+HCOO]- 321.16272 180.3
[M+CH3COO]- 335.17837 201.1
[M+Na-2H]- 297.13919 165.4
[M]+ 276.16397 163.9
[M]- 276.16507 163.9
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

patents stripe