CID 9796754

136100-14-6

Structural Information

Molecular Formula
C19H21NO3
SMILES
CC1CCN(CC1)C(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C19H21NO3/c1-15-11-13-20(14-12-15)19(21)23-18-9-7-17(8-10-18)22-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3
InChIKey
QRGQONAZHIKMGC-UHFFFAOYSA-N
Compound name
(4-phenoxyphenyl) 4-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

934
Patents

311.15213 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 174.1
[M+Na]+ 334.14135 178.3
[M-H]- 310.14485 181.3
[M+NH4]+ 329.18595 186.4
[M+K]+ 350.11529 174.8
[M+H-H2O]+ 294.14939 163.8
[M+HCOO]- 356.15033 192.2
[M+CH3COO]- 370.16598 203.8
[M+Na-2H]- 332.12680 176.3
[M]+ 311.15158 171.8
[M]- 311.15268 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe