CID 18614360

170838-23-0

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

COC(=O)C1=CC=CC=C1C2CCNCC2

InChI

InChI=1S/C13H17NO2/c1-16-13(15)12-5-3-2-4-11(12)10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3

InChIKey

FTYWVJRACDMVTQ-UHFFFAOYSA-N

Compound name

methyl 2-piperidin-4-ylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 219.12593 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]+	220.13321	151.2
[M+Na]+	242.11515	163.0
[M+NH4]+	237.15975	159.1
[M+K]+	258.08909	156.5
[M-H]-	218.11865	154.0
[M+Na-2H]-	240.10060	157.8
[M]+	219.12538	153.5
[M]-	219.12648	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe