CID 19425952

Methyl 2-(1-methylpiperidin-4-yl)acetate

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CN1CCC(CC1)CC(=O)OC

InChI

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

InChIKey

BMFMUHLTSDBYKC-UHFFFAOYSA-N

Compound name

methyl 2-(1-methylpiperidin-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 171.12593 Da
Monoisotopic Mass: 0.8
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	139.3
[M+Na]+	194.11515	149.4
[M+NH4]+	189.15975	147.0
[M+K]+	210.08909	144.0
[M-H]-	170.11865	139.9
[M+Na-2H]-	192.10060	143.2
[M]+	171.12538	140.6
[M]-	171.12648	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe