CID 70254928

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

Structural Information

Molecular Formula

C₁₁H₂₁FN₂O₂

SMILES

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

InChI

InChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-8,13H2,1-3H3

InChIKey

VWTGVCLPGCNHRW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 232.1587 Da
Monoisotopic Mass: 0.9
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]+	233.165976	154.4
[M+Na]+	255.147918	159.6
[M-H]-	231.151424	154.2
[M+NH4]+	250.192523	172.6
[M+K]+	271.121858	158.7
[M+H-H2O]+	215.155960	148.1
[M+HCOO]-	277.156901	170.1
[M+CH3COO]-	291.172551	191.1
[M+Na-2H]-	253.133366	157.5
[M]+	232.15815142	149.9
[M]-	232.15924858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe