CID 52644172

1205749-08-1

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCC1(CCNCC1)C(=O)OC

InChI

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

InChIKey

VUYOLFCBKTYCAL-UHFFFAOYSA-N

Compound name

methyl 4-ethylpiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
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	140.0
[M+Na]+	194.11515	144.8
[M-H]-	170.11865	140.0
[M+NH4]+	189.15975	160.0
[M+K]+	210.08909	143.8
[M+H-H2O]+	154.12319	134.4
[M+HCOO]-	216.12413	157.0
[M+CH3COO]-	230.13978	175.3
[M+Na-2H]-	192.10060	144.6
[M]+	171.12538	136.0
[M]-	171.12648	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe