CID 2736937

1-methylpiperidine-3-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CN1CCCC(C1)C(=O)O

InChI

InChI=1S/C7H13NO2/c1-8-4-2-3-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)

InChIKey

AYIXGVABNMIOLK-UHFFFAOYSA-N

Compound name

1-methylpiperidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 841
Patents: 143.09464 Da
Monoisotopic Mass: -2.0
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]+	144.10192	130.8
[M+Na]+	166.08386	140.7
[M+NH4]+	161.12846	138.4
[M+K]+	182.05780	136.2
[M-H]-	142.08736	130.9
[M+Na-2H]-	164.06931	134.6
[M]+	143.09409	131.9
[M]-	143.09519	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe