CID 91844466

Dtxsid101032411

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCOC(=O)C(C1CCCCN1)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-2-12-19-16(18)15(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3
InChIKey
PRMWWEANNQSWAR-UHFFFAOYSA-N
Compound name
propyl 2-phenyl-2-piperidin-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 164.2
[M+Na]+ 284.162098 166.0
[M-H]- 260.165604 166.3
[M+NH4]+ 279.206703 177.9
[M+K]+ 300.136038 162.7
[M+H-H2O]+ 244.170140 155.7
[M+HCOO]- 306.171081 179.3
[M+CH3COO]- 320.186731 193.4
[M+Na-2H]- 282.147546 165.3
[M]+ 261.17233142 159.1
[M]- 261.17342858 159.1
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.