CID 58320

101418-11-5

Structural Information

Molecular Formula
C15H21NO3
SMILES
CCOC(=O)OC1(CCN(CC1)C)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO3/c1-3-18-14(17)19-15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChIKey
JWKBEONLEADIMJ-UHFFFAOYSA-N
Compound name
ethyl (1-methyl-4-phenylpiperidin-4-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 162.2
[M+Na]+ 286.141348 167.2
[M-H]- 262.144854 166.7
[M+NH4]+ 281.185953 179.1
[M+K]+ 302.115288 165.5
[M+H-H2O]+ 246.149390 154.2
[M+HCOO]- 308.150331 180.5
[M+CH3COO]- 322.165981 194.1
[M+Na-2H]- 284.126796 166.0
[M]+ 263.15158142 161.4
[M]- 263.15267858 161.4
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.