CID 58320

Nsc665331

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
1
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]+ 264.15941 162.2
[M+Na]+ 286.14135 167.2
[M-H]- 262.14485 166.7
[M+NH4]+ 281.18595 179.1
[M+K]+ 302.11529 165.5
[M+H-H2O]+ 246.14939 154.2
[M+HCOO]- 308.15033 180.5
[M+CH3COO]- 322.16598 194.1
[M+Na-2H]- 284.12680 166.0
[M]+ 263.15158 161.4
[M]- 263.15268 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.