CID 11694980

Tert-butyl 4-(benzyloxy)piperidine-1-carboxylate

Structural Information

Molecular Formula
C17H25NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OCC2=CC=CC=C2
InChI
InChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-11-9-15(10-12-18)20-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKey
MWDHRTQFUAQSMK-UHFFFAOYSA-N
Compound name
tert-butyl 4-phenylmethoxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

291.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 171.2
[M+Na]+ 314.17266 174.8
[M-H]- 290.17616 175.3
[M+NH4]+ 309.21726 185.0
[M+K]+ 330.14660 172.8
[M+H-H2O]+ 274.18070 162.9
[M+HCOO]- 336.18164 187.2
[M+CH3COO]- 350.19729 200.3
[M+Na-2H]- 312.15811 173.7
[M]+ 291.18289 170.2
[M]- 291.18399 170.2
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