CID 33019

2-iodohexane

Structural Information

Molecular Formula

C₆H₁₃I

SMILES

CCCCC(C)I

InChI

InChI=1S/C6H13I/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3

InChIKey

XCEDNORUDUKWGK-UHFFFAOYSA-N

Compound name

2-iodohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 245
Patents: 212.0062 Da
Monoisotopic Mass: 3.9
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]+	213.013476	133.0
[M+Na]+	234.995418	132.8
[M-H]-	210.998924	126.6
[M+NH4]+	230.040023	151.2
[M+K]+	250.969358	138.5
[M+H-H2O]+	195.003460	125.2
[M+HCOO]-	257.004401	150.5
[M+CH3COO]-	271.020051	180.2
[M+Na-2H]-	232.980866	126.1
[M]+	212.00565142	131.2
[M]-	212.00674858	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe