CID 3019487

Butyl 4-phenylpiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCCOC(=O)C1(CCNCC1)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-2-3-13-19-15(18)16(9-11-17-12-10-16)14-7-5-4-6-8-14/h4-8,17H,2-3,9-13H2,1H3
InChIKey
OZJCIMHJVLVRGA-UHFFFAOYSA-N
Compound name
butyl 4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

261.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 164.6
[M+Na]+ 284.162098 167.8
[M-H]- 260.165604 167.0
[M+NH4]+ 279.206703 180.5
[M+K]+ 300.136038 164.3
[M+H-H2O]+ 244.170140 156.6
[M+HCOO]- 306.171081 180.8
[M+CH3COO]- 320.186731 192.0
[M+Na-2H]- 282.147546 167.9
[M]+ 261.17233142 160.5
[M]- 261.17342858 160.5
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

patents stripe