CID 11129421

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

Structural Information

Molecular Formula

C₁₃H₁₇NO₃

SMILES

COC(=O)C1=CC=C(C=C1)OC2CCNCC2

InChI

InChI=1S/C13H17NO3/c1-16-13(15)10-2-4-11(5-3-10)17-12-6-8-14-9-7-12/h2-5,12,14H,6-9H2,1H3

InChIKey

VKZCXEDITLJYNW-UHFFFAOYSA-N

Compound name

methyl 4-piperidin-4-yloxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 235.12085 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]+	236.128126	153.3
[M+Na]+	258.110068	157.6
[M-H]-	234.113574	156.3
[M+NH4]+	253.154673	168.4
[M+K]+	274.084008	155.1
[M+H-H2O]+	218.118110	145.3
[M+HCOO]-	280.119051	170.7
[M+CH3COO]-	294.134701	186.7
[M+Na-2H]-	256.095516	156.6
[M]+	235.12030142	149.7
[M]-	235.12139858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe