CID 52055

73664-47-8

Structural Information

Molecular Formula

C₉H₁₁IN₂O

SMILES

C1=CC=NC(=C1)CCNC(=O)CI

InChI

InChI=1S/C9H11IN2O/c10-7-9(13)12-6-4-8-3-1-2-5-11-8/h1-3,5H,4,6-7H2,(H,12,13)

InChIKey

NVVUQSCTGKWZDV-UHFFFAOYSA-N

Compound name

2-iodo-N-(2-pyridin-2-ylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.9916 Da
Monoisotopic Mass: 0.8
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]+	290.99888	150.0
[M+Na]+	312.98082	153.6
[M+NH4]+	308.02542	153.2
[M+K]+	328.95476	150.5
[M-H]-	288.98432	145.3
[M+Na-2H]-	310.96627	143.7
[M]+	289.99105	147.9
[M]-	289.99215	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.