CID 145944964

2257430-00-3

Structural Information

Molecular Formula
C18H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)C2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H32BNO4/c1-13(19-23-17(5,6)18(7,8)24-19)14-9-11-20(12-10-14)15(21)22-16(2,3)4/h14H,1,9-12H2,2-8H3
InChIKey
ZWSUBIHDPMFONT-UHFFFAOYSA-N
Compound name
tert-butyl 4-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24971 176.9
[M+Na]+ 360.23165 181.7
[M-H]- 336.23515 182.8
[M+NH4]+ 355.27625 192.8
[M+K]+ 376.20559 183.1
[M+H-H2O]+ 320.23969 172.8
[M+HCOO]- 382.24063 188.0
[M+CH3COO]- 396.25628 210.7
[M+Na-2H]- 358.21710 177.4
[M]+ 337.24188 177.8
[M]- 337.24298 177.8
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

No patent data available for this compound.