CID 162482352

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

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(C)(C)OC(=O)C1=CC=C(C=C1)C2CCNCC2
InChI
InChI=1S/C16H23NO2/c1-16(2,3)19-15(18)14-6-4-12(5-7-14)13-8-10-17-11-9-13/h4-7,13,17H,8-11H2,1-3H3
InChIKey
TXXNJBLRNNZIJC-UHFFFAOYSA-N
Compound name
tert-butyl 4-piperidin-4-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 163.8
[M+Na]+ 284.162098 167.4
[M-H]- 260.165604 166.6
[M+NH4]+ 279.206703 178.1
[M+K]+ 300.136038 164.2
[M+H-H2O]+ 244.170140 156.2
[M+HCOO]- 306.171081 178.4
[M+CH3COO]- 320.186731 193.4
[M+Na-2H]- 282.147546 166.3
[M]+ 261.17233142 159.2
[M]- 261.17342858 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

patents stripe