CID 24904226

Methyl 4-(piperidin-4-yl)benzoate hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

COC(=O)C1=CC=C(C=C1)C2CCNCC2

InChI

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

InChIKey

GKSBLGJAXZOORS-UHFFFAOYSA-N

Compound name

methyl 4-piperidin-4-ylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 284
Patents: 219.12593 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]+	220.133206	150.4
[M+Na]+	242.115148	154.8
[M-H]-	218.118654	153.4
[M+NH4]+	237.159753	166.2
[M+K]+	258.089088	151.8
[M+H-H2O]+	202.123190	142.6
[M+HCOO]-	264.124131	167.6
[M+CH3COO]-	278.139781	184.6
[M+Na-2H]-	240.100596	153.7
[M]+	219.12538142	145.3
[M]-	219.12647858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe