CID 67043257

5-methoxypiperidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

COC1CC(CNC1)C(=O)O

InChI

InChI=1S/C7H13NO3/c1-11-6-2-5(7(9)10)3-8-4-6/h5-6,8H,2-4H2,1H3,(H,9,10)

InChIKey

DJPOAMSLSHUTOZ-UHFFFAOYSA-N

Compound name

5-methoxypiperidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 159.08954 Da
Monoisotopic Mass: -2.9
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]+	160.09682	134.1
[M+Na]+	182.07876	143.0
[M+NH4]+	177.12336	140.8
[M+K]+	198.05270	139.3
[M-H]-	158.08226	133.1
[M+Na-2H]-	180.06421	136.8
[M]+	159.08899	134.6
[M]-	159.09009	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe