CID 16206174

1-benzyl-3-piperidyl methacrylate

Structural Information

Molecular Formula
C16H21NO2
SMILES
CC(=C)C(=O)OC1CCCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C16H21NO2/c1-13(2)16(18)19-15-9-6-10-17(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,1,6,9-12H2,2H3
InChIKey
AMTKJHWIWZRTEY-UHFFFAOYSA-N
Compound name
(1-benzylpiperidin-3-yl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 162.2
[M+Na]+ 282.146448 165.7
[M-H]- 258.149954 166.1
[M+NH4]+ 277.191053 176.9
[M+K]+ 298.120388 162.7
[M+H-H2O]+ 242.154490 153.7
[M+HCOO]- 304.155431 179.0
[M+CH3COO]- 318.171081 196.3
[M+Na-2H]- 280.131896 163.1
[M]+ 259.15668142 158.6
[M]- 259.15777858 158.6
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.