CID 19361805

Ethyl 4-methylpiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCOC(=O)C1(CCNCC1)C

InChI

InChI=1S/C9H17NO2/c1-3-12-8(11)9(2)4-6-10-7-5-9/h10H,3-7H2,1-2H3

InChIKey

YWXSWDQLJWHKMW-UHFFFAOYSA-N

Compound name

ethyl 4-methylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 390
Patents: 171.12593 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]+	172.13321	140.6
[M+Na]+	194.11515	149.9
[M+NH4]+	189.15975	149.3
[M+K]+	210.08909	143.0
[M-H]-	170.11865	140.6
[M+Na-2H]-	192.10060	145.6
[M]+	171.12538	141.7
[M]-	171.12648	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe