CID 16767465

874365-37-4

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

COC(=O)CCC1CCCNC1

InChI

InChI=1S/C9H17NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h8,10H,2-7H2,1H3

InChIKey

VJCAJSGDZGKOBU-UHFFFAOYSA-N

Compound name

methyl 3-piperidin-3-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 171.12593 Da
Monoisotopic Mass: 0.7
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	140.4
[M+Na]+	194.115148	144.2
[M-H]-	170.118654	139.9
[M+NH4]+	189.159753	158.3
[M+K]+	210.089088	143.0
[M+H-H2O]+	154.123190	133.9
[M+HCOO]-	216.124131	157.4
[M+CH3COO]-	230.139781	175.7
[M+Na-2H]-	192.100596	143.8
[M]+	171.12538142	136.0
[M]-	171.12647858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe