CID 165947949

En300-802783

Structural Information

Molecular Formula
C18H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2CCCN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H32BNO4/c1-16(2,3)22-15(21)20-12-8-9-14(13-20)10-11-19-23-17(4,5)18(6,7)24-19/h10-11,14H,8-9,12-13H2,1-7H3/b11-10+
InChIKey
GQZHHHFUOSXTBD-ZHACJKMWSA-N
Compound name
tert-butyl 3-[(E)-2-(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 178.0
[M+Na]+ 360.23165 183.1
[M-H]- 336.23515 183.8
[M+NH4]+ 355.27625 194.0
[M+K]+ 376.20559 183.9
[M+H-H2O]+ 320.23969 173.6
[M+HCOO]- 382.24063 190.0
[M+CH3COO]- 396.25628 209.1
[M+Na-2H]- 358.21710 179.5
[M]+ 337.24188 179.4
[M]- 337.24298 179.4
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.