CID 2756612

711002-74-3

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C13H18N2O2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2

InChIKey

PBFBPDLWODIXHK-UHFFFAOYSA-N

Compound name

benzyl 3-aminopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 206
Patents: 234.13683 Da
Monoisotopic Mass: 1.2
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]+	235.14411	154.8
[M+Na]+	257.12605	165.6
[M+NH4]+	252.17065	162.4
[M+K]+	273.09999	159.4
[M-H]-	233.12955	158.2
[M+Na-2H]-	255.11150	161.2
[M]+	234.13628	157.0
[M]-	234.13738	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe