CID 10012139

Methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate hydrochloride

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

COC(=O)C1CCC(=NC1)N

InChI

InChI=1S/C7H12N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h5H,2-4H2,1H3,(H2,8,9)

InChIKey

NDYOGNUJWRYXIH-UHFFFAOYSA-N

Compound name

methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
Patents: 156.08987 Da
Monoisotopic Mass: -1.0
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]+	157.097146	132.6
[M+Na]+	179.079088	138.9
[M-H]-	155.082594	134.2
[M+NH4]+	174.123693	151.7
[M+K]+	195.053028	138.3
[M+H-H2O]+	139.087130	126.1
[M+HCOO]-	201.088071	153.7
[M+CH3COO]-	215.103721	177.3
[M+Na-2H]-	177.064536	137.2
[M]+	156.08932142	129.5
[M]-	156.09041858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe