CID 49835909

885693-20-9

Structural Information

Molecular Formula
C16H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCCN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17/h9H,8,10-11H2,1-7H3
InChIKey
KEEIJBAOTMNSEN-UHFFFAOYSA-N
Compound name
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

736
Patents

309.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21843 170.0
[M+Na]+ 332.20037 178.9
[M+NH4]+ 327.24497 178.6
[M+K]+ 348.17431 174.3
[M-H]- 308.20387 173.0
[M+Na-2H]- 330.18582 174.7
[M]+ 309.21060 172.3
[M]- 309.21170 172.3
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