CID 14331

1132-20-3

Structural Information

Molecular Formula

C₁₀H₁₆ClNO

SMILES

C1CC2CCC1CN(C2)C(=O)CCl

InChI

InChI=1S/C10H16ClNO/c11-5-10(13)12-6-8-1-2-9(7-12)4-3-8/h8-9H,1-7H2

InChIKey

OZKJSYJSHRYFEH-UHFFFAOYSA-N

Compound name

1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-chloroethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 201.09204 Da
Monoisotopic Mass: 1.8
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]+	202.09932	148.2
[M+Na]+	224.08126	157.5
[M-H]-	200.08476	148.2
[M+NH4]+	219.12586	169.0
[M+K]+	240.05520	153.8
[M+H-H2O]+	184.08930	148.3
[M+HCOO]-	246.09024	155.4
[M+CH3COO]-	260.10589	158.2
[M+Na-2H]-	222.06671	157.0
[M]+	201.09149	147.7
[M]-	201.09259	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe