CID 53302308

Tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₂FNO₃

SMILES

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

InChI

InChI=1S/C12H22FNO3/c1-12(2,3)17-11(16)14-6-4-9(5-7-14)10(13)8-15/h9-10,15H,4-8H2,1-3H3

InChIKey

QGEYVOBSVRXLBI-UHFFFAOYSA-N

Compound name

tert-butyl 4-(1-fluoro-2-hydroxyethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 247.15837 Da
Monoisotopic Mass: 1.6
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	158.5
[M+Na]+	270.147588	162.5
[M-H]-	246.151094	157.1
[M+NH4]+	265.192193	173.9
[M+K]+	286.121528	161.6
[M+H-H2O]+	230.155630	151.6
[M+HCOO]-	292.156571	171.3
[M+CH3COO]-	306.172221	190.7
[M+Na-2H]-	268.133036	158.9
[M]+	247.15782142	154.8
[M]-	247.15891858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe