CID 345948

4-piperidinylmethyl acetate hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(=O)OCC1CCNCC1

InChI

InChI=1S/C8H15NO2/c1-7(10)11-6-8-2-4-9-5-3-8/h8-9H,2-6H2,1H3

InChIKey

KQGBGOUNTHYCMQ-UHFFFAOYSA-N

Compound name

piperidin-4-ylmethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 157.11028 Da
Monoisotopic Mass: 0.4
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]+	158.11756	135.8
[M+Na]+	180.09950	140.1
[M-H]-	156.10300	135.6
[M+NH4]+	175.14410	154.3
[M+K]+	196.07344	139.1
[M+H-H2O]+	140.10754	129.5
[M+HCOO]-	202.10848	153.2
[M+CH3COO]-	216.12413	172.7
[M+Na-2H]-	178.08495	139.8
[M]+	157.10973	131.1
[M]-	157.11083	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe