CID 2756808

1-boc-4-methylenepiperidine

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

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

InChI

InChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h1,5-8H2,2-4H3

InChIKey

PDTZMULNKGUIEJ-UHFFFAOYSA-N

Compound name

tert-butyl 4-methylidenepiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1348
Patents: 197.14159 Da
Monoisotopic Mass: 1.9
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]+	198.148866	146.3
[M+Na]+	220.130808	151.7
[M-H]-	196.134314	147.9
[M+NH4]+	215.175413	164.6
[M+K]+	236.104748	150.7
[M+H-H2O]+	180.138850	140.5
[M+HCOO]-	242.139791	162.9
[M+CH3COO]-	256.155441	183.7
[M+Na-2H]-	218.116256	149.5
[M]+	197.14104142	143.8
[M]-	197.14213858	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe