CID 25067313

Tert-butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CC#N)O

InChI

InChI=1S/C12H20N2O3/c1-11(2,3)17-10(15)14-8-5-12(16,4-7-13)6-9-14/h16H,4-6,8-9H2,1-3H3

InChIKey

WQWMUDUIUQIEII-UHFFFAOYSA-N

Compound name

tert-butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 240.1474 Da
Monoisotopic Mass: 1.0
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]+	241.154676	155.8
[M+Na]+	263.136618	163.1
[M-H]-	239.140124	156.2
[M+NH4]+	258.181223	171.7
[M+K]+	279.110558	161.1
[M+H-H2O]+	223.144660	144.2
[M+HCOO]-	285.145601	168.0
[M+CH3COO]-	299.161251	199.4
[M+Na-2H]-	261.122066	159.2
[M]+	240.14685142	149.3
[M]-	240.14794858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe