CID 151427

1-methyl-4-piperidyl acetate

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(=O)OC1CCN(CC1)C

InChI

InChI=1S/C8H15NO2/c1-7(10)11-8-3-5-9(2)6-4-8/h8H,3-6H2,1-2H3

InChIKey

RWPYOAUYOSFJQV-UHFFFAOYSA-N

Compound name

(1-methylpiperidin-4-yl) acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 25
References: 98
Patents: 157.11028 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]+	158.11756	134.3
[M+Na]+	180.09950	140.1
[M-H]-	156.10300	136.0
[M+NH4]+	175.14410	153.9
[M+K]+	196.07344	140.0
[M+H-H2O]+	140.10754	128.1
[M+HCOO]-	202.10848	153.2
[M+CH3COO]-	216.12413	176.5
[M+Na-2H]-	178.08495	138.2
[M]+	157.10973	132.0
[M]-	157.11083	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe