CID 11166

Allyl iodide

Structural Information

Molecular Formula

SMILES

C=CCI

InChI

InChI=1S/C3H5I/c1-2-3-4/h2H,1,3H2

InChIKey

HFEHLDPGIKPNKL-UHFFFAOYSA-N

Compound name

3-iodoprop-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 24
References: 8173
Patents: 167.9436 Da
Monoisotopic Mass: 2.1
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]+	168.95088	113.9
[M+Na]+	190.93282	118.3
[M+NH4]+	185.97742	118.9
[M+K]+	206.90676	115.5
[M-H]-	166.93632	108.2
[M+Na-2H]-	188.91827	107.2
[M]+	167.94305	111.7
[M]-	167.94415	111.7

Literature stripe

literature stripe

Patent stripe

patents stripe