CID 5362933

Trans-1-iodo-1-hexene

Structural Information

Molecular Formula

C₆H₁₁I

SMILES

CCCC/C=C/I

InChI

InChI=1S/C6H11I/c1-2-3-4-5-6-7/h5-6H,2-4H2,1H3/b6-5+

InChIKey

TUAPXMNNQGXDDV-AATRIKPKSA-N

Compound name

(E)-1-iodohex-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 209.99055 Da
Monoisotopic Mass: 3.5
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]+	210.99783	131.0
[M+Na]+	232.97977	131.4
[M-H]-	208.98327	124.6
[M+NH4]+	228.02437	149.3
[M+K]+	248.95371	136.2
[M+H-H2O]+	192.98781	123.3
[M+HCOO]-	254.98875	149.7
[M+CH3COO]-	269.00440	178.0
[M+Na-2H]-	230.96522	125.5
[M]+	209.99000	129.2
[M]-	209.99110	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe