CID 29026

18312-12-4

Structural Information

Molecular Formula

C₁₀H₁₆INO

SMILES

C1CC2CCC1CN(C2)C(=O)CI

InChI

InChI=1S/C10H16INO/c11-5-10(13)12-6-8-1-2-9(7-12)4-3-8/h8-9H,1-7H2

InChIKey

UUCWZAUJRFXPCP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.02765 Da
Monoisotopic Mass: 1.9
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]+	294.03493	140.0
[M+Na]+	316.01687	141.8
[M-H]-	292.02037	135.1
[M+NH4]+	311.06147	156.4
[M+K]+	331.99081	143.7
[M+H-H2O]+	276.02491	137.8
[M+HCOO]-	338.02585	147.1
[M+CH3COO]-	352.04150	147.0
[M+Na-2H]-	314.00232	140.5
[M]+	293.02710	136.5
[M]-	293.02820	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe