CID 19381871

149377-19-5

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)O

InChI

InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-10-8-13(9-11-17)12-4-6-14(18)7-5-12/h4-7,13,18H,8-11H2,1-3H3

InChIKey

CUUQNEXFGPWNPJ-UHFFFAOYSA-N

Compound name

tert-butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 175
Patents: 277.1678 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.17508	166.7
[M+Na]+	300.15702	171.3
[M-H]-	276.16052	170.0
[M+NH4]+	295.20162	180.8
[M+K]+	316.13096	168.7
[M+H-H2O]+	260.16506	159.2
[M+HCOO]-	322.16600	181.6
[M+CH3COO]-	336.18165	196.0
[M+Na-2H]-	298.14247	168.7
[M]+	277.16725	164.0
[M]-	277.16835	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe