CID 15519136

138163-12-9

Structural Information

Molecular Formula

C₁₄H₁₇NO₂

SMILES

C=C1CCN(CC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H17NO2/c1-12-7-9-15(10-8-12)14(16)17-11-13-5-3-2-4-6-13/h2-6H,1,7-11H2

InChIKey

FQLKVNIQHUASLU-UHFFFAOYSA-N

Compound name

benzyl 4-methylidenepiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 143
Patents: 231.12593 Da
Monoisotopic Mass: 2.4
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]+	232.13321	153.4
[M+Na]+	254.11515	158.2
[M-H]-	230.11865	157.7
[M+NH4]+	249.15975	169.5
[M+K]+	270.08909	155.2
[M+H-H2O]+	214.12319	145.2
[M+HCOO]-	276.12413	172.0
[M+CH3COO]-	290.13978	188.7
[M+Na-2H]-	252.10060	156.6
[M]+	231.12538	149.8
[M]-	231.12648	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe