CID 101106

Meperidinic acid

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

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

InChI

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

InChIKey

KHUPPYUUMRDAAX-UHFFFAOYSA-N

Compound name

1-methyl-4-phenylpiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 215
Patents: 219.12593 Da
Monoisotopic Mass: -0.5
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]+	220.133206	150.4
[M+Na]+	242.115148	155.8
[M-H]-	218.118654	153.8
[M+NH4]+	237.159753	168.3
[M+K]+	258.089088	153.0
[M+H-H2O]+	202.123190	143.3
[M+HCOO]-	264.124131	167.6
[M+CH3COO]-	278.139781	184.8
[M+Na-2H]-	240.100596	154.7
[M]+	219.12538142	145.7
[M]-	219.12647858	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe