CID 21955499

4-aminomethyl-1-n-cbz-piperidine

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

C1CN(CCC1CN)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H20N2O2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11,15H2

InChIKey

ABJVEAFRFGTATH-UHFFFAOYSA-N

Compound name

benzyl 4-(aminomethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 198
Patents: 248.15248 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]+	249.159756	158.8
[M+Na]+	271.141698	162.4
[M-H]-	247.145204	162.5
[M+NH4]+	266.186303	173.6
[M+K]+	287.115638	159.6
[M+H-H2O]+	231.149740	150.2
[M+HCOO]-	293.150681	177.6
[M+CH3COO]-	307.166331	193.9
[M+Na-2H]-	269.127146	161.4
[M]+	248.15193142	154.1
[M]-	248.15302858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe