CID 56737678

1227068-67-8

Structural Information

Molecular Formula
C13H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C(=O)C
InChI
InChI=1S/C13H22BNO3/c1-10(16)15-8-6-11(7-9-15)14-17-12(2,3)13(4,5)18-14/h6H,7-9H2,1-5H3
InChIKey
RENBVEOCTVQABH-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

251.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17656 156.3
[M+Na]+ 274.15850 166.7
[M+NH4]+ 269.20310 166.2
[M+K]+ 290.13244 160.8
[M-H]- 250.16200 160.6
[M+Na-2H]- 272.14395 162.0
[M]+ 251.16873 159.2
[M]- 251.16983 159.2
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