CID 9990740

3-vinyl-piperidine-1-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula

C₁₂H₂₁NO₂

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C=C

InChI

InChI=1S/C12H21NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h5,10H,1,6-9H2,2-4H3

InChIKey

JCQBWMAWTUBARI-UHFFFAOYSA-N

Compound name

tert-butyl 3-ethenylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2818
Patents: 211.15723 Da
Monoisotopic Mass: 2.5
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]+	212.164506	150.9
[M+Na]+	234.146448	155.9
[M-H]-	210.149954	152.3
[M+NH4]+	229.191053	168.6
[M+K]+	250.120388	154.7
[M+H-H2O]+	194.154490	144.9
[M+HCOO]-	256.155431	167.2
[M+CH3COO]-	270.171081	186.7
[M+Na-2H]-	232.131896	153.5
[M]+	211.15668142	148.7
[M]-	211.15777858	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe