CID 20438879

86518-41-4

Structural Information

Molecular Formula

C₈H₁₄ClNO₂

SMILES

CN1CCCC(C1)OC(=O)CCl

InChI

InChI=1S/C8H14ClNO2/c1-10-4-2-3-7(6-10)12-8(11)5-9/h7H,2-6H2,1H3

InChIKey

GHPRRXRAHBPGIW-UHFFFAOYSA-N

Compound name

(1-methylpiperidin-3-yl) 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 191.0713 Da
Monoisotopic Mass: 1.3
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]+	192.07858	139.8
[M+Na]+	214.06052	146.3
[M-H]-	190.06402	141.2
[M+NH4]+	209.10512	158.8
[M+K]+	230.03446	144.2
[M+H-H2O]+	174.06856	134.2
[M+HCOO]-	236.06950	154.1
[M+CH3COO]-	250.08515	180.3
[M+Na-2H]-	212.04597	143.2
[M]+	191.07075	139.3
[M]-	191.07185	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe