CID 49761206

Benzyl 3-fluoro-4-hydroxypiperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₃H₁₆FNO₃

SMILES

C1CN(CC(C1O)F)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H16FNO3/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2

InChIKey

RKRKELORNFODMN-UHFFFAOYSA-N

Compound name

benzyl 3-fluoro-4-hydroxypiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 253.11142 Da
Monoisotopic Mass: 1.5
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]+	254.118696	156.4
[M+Na]+	276.100638	161.8
[M-H]-	252.104144	158.4
[M+NH4]+	271.145243	171.0
[M+K]+	292.074578	158.8
[M+H-H2O]+	236.108680	147.6
[M+HCOO]-	298.109621	172.7
[M+CH3COO]-	312.125271	190.0
[M+Na-2H]-	274.086086	158.3
[M]+	253.11087142	151.9
[M]-	253.11196858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe