CID 10878409

18922-04-8

Structural Information

Molecular Formula

C₆H₁₁I

SMILES

C=CCCCCI

InChI

InChI=1S/C6H11I/c1-2-3-4-5-6-7/h2H,1,3-6H2

InChIKey

QTCKFQMYOMTINU-UHFFFAOYSA-N

Compound name

6-iodohex-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 170
Patents: 209.99055 Da
Monoisotopic Mass: 4.2
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]+	210.997826	131.0
[M+Na]+	232.979768	131.3
[M-H]-	208.983274	124.5
[M+NH4]+	228.024373	149.2
[M+K]+	248.953708	136.1
[M+H-H2O]+	192.987810	123.2
[M+HCOO]-	254.988751	149.6
[M+CH3COO]-	269.004401	178.6
[M+Na-2H]-	230.965216	125.4
[M]+	209.99000142	129.2
[M]-	209.99109858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe