CID 5214606

Methyl 2-(piperidin-2-yl)acetate hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

COC(=O)CC1CCCCN1

InChI

InChI=1S/C8H15NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h7,9H,2-6H2,1H3

InChIKey

KNLRJTRKAHPHEE-UHFFFAOYSA-N

Compound name

methyl 2-piperidin-2-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 309
Patents: 157.11028 Da
Monoisotopic Mass: 0.5
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]+	158.117556	135.8
[M+Na]+	180.099498	140.1
[M-H]-	156.103004	135.6
[M+NH4]+	175.144103	154.3
[M+K]+	196.073438	139.1
[M+H-H2O]+	140.107540	129.5
[M+HCOO]-	202.108481	153.2
[M+CH3COO]-	216.124131	172.7
[M+Na-2H]-	178.084946	139.8
[M]+	157.10973142	131.1
[M]-	157.11082858	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe