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

308
Patents

251.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17656 153.7
[M+Na]+ 274.15850 161.2
[M-H]- 250.16200 160.4
[M+NH4]+ 269.20310 173.1
[M+K]+ 290.13244 162.2
[M+H-H2O]+ 234.16654 148.8
[M+HCOO]- 296.16748 170.0
[M+CH3COO]- 310.18313 193.9
[M+Na-2H]- 272.14395 156.9
[M]+ 251.16873 154.5
[M]- 251.16983 154.5
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