CID 165742777

Tert-butyl2-[4-(piperidin-4-yl)phenyl]acetate

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC(C)(C)OC(=O)CC1=CC=C(C=C1)C2CCNCC2
InChI
InChI=1S/C17H25NO2/c1-17(2,3)20-16(19)12-13-4-6-14(7-5-13)15-8-10-18-11-9-15/h4-7,15,18H,8-12H2,1-3H3
InChIKey
GXPKXDOGGZIMPI-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-piperidin-4-ylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 168.3
[M+Na]+ 298.177758 171.5
[M-H]- 274.181264 170.9
[M+NH4]+ 293.222363 182.1
[M+K]+ 314.151698 168.0
[M+H-H2O]+ 258.185800 160.5
[M+HCOO]- 320.186741 182.6
[M+CH3COO]- 334.202391 196.4
[M+Na-2H]- 296.163206 170.3
[M]+ 275.18799142 164.1
[M]- 275.18908858 164.1
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.