CID 22907215

Methyl 4-aminopiperidine-4-carboxylate dihydrochloride

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

COC(=O)C1(CCNCC1)N

InChI

InChI=1S/C7H14N2O2/c1-11-6(10)7(8)2-4-9-5-3-7/h9H,2-5,8H2,1H3

InChIKey

JAEORFRKLBYOOJ-UHFFFAOYSA-N

Compound name

methyl 4-aminopiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 158.10553 Da
Monoisotopic Mass: -0.9
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]+	159.112806	135.1
[M+Na]+	181.094748	140.0
[M-H]-	157.098254	134.9
[M+NH4]+	176.139353	155.0
[M+K]+	197.068688	139.1
[M+H-H2O]+	141.102790	129.6
[M+HCOO]-	203.103731	153.2
[M+CH3COO]-	217.119381	173.5
[M+Na-2H]-	179.080196	140.1
[M]+	158.10498142	128.7
[M]-	158.10607858	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe