CID 71756063

Tert-butyl 4-hydroxy-4-[2-(hydroxymethyl)phenyl]piperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₇H₂₅NO₄

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2CO)O

InChI

InChI=1S/C17H25NO4/c1-16(2,3)22-15(20)18-10-8-17(21,9-11-18)14-7-5-4-6-13(14)12-19/h4-7,19,21H,8-12H2,1-3H3

InChIKey

NEVFEDFYOIPSLI-UHFFFAOYSA-N

Compound name

tert-butyl 4-hydroxy-4-[2-(hydroxymethyl)phenyl]piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.17834 Da
Monoisotopic Mass: 1.4
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]+	308.185616	174.4
[M+Na]+	330.167558	178.9
[M-H]-	306.171064	176.4
[M+NH4]+	325.212163	188.5
[M+K]+	346.141498	176.4
[M+H-H2O]+	290.175600	167.7
[M+HCOO]-	352.176541	187.6
[M+CH3COO]-	366.192191	198.3
[M+Na-2H]-	328.153006	176.8
[M]+	307.17779142	172.0
[M]-	307.17888858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.