CID 18617828

718632-61-2

Structural Information

Molecular Formula

C₁₃H₁₇NO₃

SMILES

CN1CCC(CC1)OC2=CC=C(C=C2)C(=O)O

InChI

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

InChIKey

YBVIJDLPKKTZBO-UHFFFAOYSA-N

Compound name

4-(1-methylpiperidin-4-yl)oxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 235.12085 Da
Monoisotopic Mass: -0.3
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	152.9
[M+Na]+	258.110068	158.0
[M-H]-	234.113574	156.2
[M+NH4]+	253.154673	168.2
[M+K]+	274.084008	155.6
[M+H-H2O]+	218.118110	145.1
[M+HCOO]-	280.119051	170.2
[M+CH3COO]-	294.134701	188.6
[M+Na-2H]-	256.095516	155.5
[M]+	235.12030142	149.7
[M]-	235.12139858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe