CID 110942

78372-15-3

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCC(C)C(C1=CC=CC=C1)C(=O)OC2CCN(CC2)C
InChI
InChI=1S/C18H27NO2/c1-4-14(2)17(15-8-6-5-7-9-15)18(20)21-16-10-12-19(3)13-11-16/h5-9,14,16-17H,4,10-13H2,1-3H3
InChIKey
UKQYEYCQIQBHBC-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 3-methyl-2-phenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

667
Patents

289.2042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 171.9
[M+Na]+ 312.19342 182.5
[M+NH4]+ 307.23802 179.2
[M+K]+ 328.16736 176.3
[M-H]- 288.19692 174.7
[M+Na-2H]- 310.17887 177.2
[M]+ 289.20365 174.0
[M]- 289.20475 174.0
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

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