CID 10355

Arecaidine

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CN1CCC=C(C1)C(=O)O

InChI

InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)

InChIKey

DNJFTXKSFAMXQF-UHFFFAOYSA-N

Compound name

1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 73
References: 720
Patents: 141.07898 Da
Monoisotopic Mass: -2.3
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]+	142.08626	128.4
[M+Na]+	164.06820	135.1
[M-H]-	140.07170	129.1
[M+NH4]+	159.11280	147.9
[M+K]+	180.04214	134.1
[M+H-H2O]+	124.07624	122.6
[M+HCOO]-	186.07718	147.6
[M+CH3COO]-	200.09283	171.1
[M+Na-2H]-	162.05365	133.3
[M]+	141.07843	125.3
[M]-	141.07953	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe