CID 3282976

2-chloro-1-(piperidin-1-yl)propan-1-one

Structural Information

Molecular Formula

C₈H₁₄ClNO

SMILES

CC(C(=O)N1CCCCC1)Cl

InChI

InChI=1S/C8H14ClNO/c1-7(9)8(11)10-5-3-2-4-6-10/h7H,2-6H2,1H3

InChIKey

KQDJFMIFLYHGOL-UHFFFAOYSA-N

Compound name

2-chloro-1-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 175.07639 Da
Monoisotopic Mass: 1.6
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]+	176.08367	137.4
[M+Na]+	198.06561	142.7
[M-H]-	174.06911	138.5
[M+NH4]+	193.11021	156.7
[M+K]+	214.03955	140.5
[M+H-H2O]+	158.07365	131.8
[M+HCOO]-	220.07459	150.5
[M+CH3COO]-	234.09024	178.1
[M+Na-2H]-	196.05106	140.3
[M]+	175.07584	134.4
[M]-	175.07694	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe