CID 566742

Ethyl 1-methylpiperidine-2-carboxylate

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCOC(=O)C1CCCCN1C

InChI

InChI=1S/C9H17NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h8H,3-7H2,1-2H3

InChIKey

ZICBNHLULHJETL-UHFFFAOYSA-N

Compound name

ethyl 1-methylpiperidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 95
Patents: 171.12593 Da
Monoisotopic Mass: 1.4
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]+	172.133206	139.0
[M+Na]+	194.115148	144.3
[M-H]-	170.118654	140.4
[M+NH4]+	189.159753	158.0
[M+K]+	210.089088	143.9
[M+H-H2O]+	154.123190	132.5
[M+HCOO]-	216.124131	157.5
[M+CH3COO]-	230.139781	179.5
[M+Na-2H]-	192.100596	142.3
[M]+	171.12538142	136.9
[M]-	171.12647858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe