CID 84803351

Tert-butyl 4-(fluoromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₂FNO₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CO)CF

InChI

InChI=1S/C12H22FNO3/c1-11(2,3)17-10(16)14-6-4-12(8-13,9-15)5-7-14/h15H,4-9H2,1-3H3

InChIKey

SDVGDCHMCVTSEA-UHFFFAOYSA-N

Compound name

tert-butyl 4-(fluoromethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 247.15837 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]+	248.165646	158.1
[M+Na]+	270.147588	163.2
[M-H]-	246.151094	156.9
[M+NH4]+	265.192193	175.6
[M+K]+	286.121528	162.1
[M+H-H2O]+	230.155630	152.1
[M+HCOO]-	292.156571	171.8
[M+CH3COO]-	306.172221	189.3
[M+Na-2H]-	268.133036	161.0
[M]+	247.15782142	155.3
[M]-	247.15891858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe