CID 12527

1-iodohexane

Structural Information

Molecular Formula

C₆H₁₃I

SMILES

CCCCCCI

InChI

InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3

InChIKey

ANOOTOPTCJRUPK-UHFFFAOYSA-N

Compound name

1-iodohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 8460
Patents: 212.0062 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]+	213.013476	133.0
[M+Na]+	234.995418	133.0
[M-H]-	210.998924	126.5
[M+NH4]+	230.040023	151.2
[M+K]+	250.969358	138.4
[M+H-H2O]+	195.003460	125.1
[M+HCOO]-	257.004401	151.4
[M+CH3COO]-	271.020051	179.5
[M+Na-2H]-	232.980866	127.3
[M]+	212.00565142	131.9
[M]-	212.00674858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe