CID 75481688

Tert-butyl 2-(piperidin-4-yl)benzoate

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(C)(C)OC(=O)C1=CC=CC=C1C2CCNCC2
InChI
InChI=1S/C16H23NO2/c1-16(2,3)19-15(18)14-7-5-4-6-13(14)12-8-10-17-11-9-12/h4-7,12,17H,8-11H2,1-3H3
InChIKey
MSIVIXJYKQQBCA-UHFFFAOYSA-N
Compound name
tert-butyl 2-piperidin-4-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 163.8
[M+Na]+ 284.16210 167.4
[M-H]- 260.16560 166.6
[M+NH4]+ 279.20670 178.1
[M+K]+ 300.13604 164.2
[M+H-H2O]+ 244.17014 156.2
[M+HCOO]- 306.17108 178.4
[M+CH3COO]- 320.18673 193.4
[M+Na-2H]- 282.14755 166.3
[M]+ 261.17233 159.2
[M]- 261.17343 159.2
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.