CID 49835909

Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate

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

974
Patents

309.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21843 168.6
[M+Na]+ 332.20037 175.2
[M-H]- 308.20387 175.1
[M+NH4]+ 327.24497 185.8
[M+K]+ 348.17431 176.9
[M+H-H2O]+ 292.20841 164.2
[M+HCOO]- 354.20935 182.6
[M+CH3COO]- 368.22500 204.2
[M+Na-2H]- 330.18582 171.9
[M]+ 309.21060 171.5
[M]- 309.21170 171.5
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