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

2
Annotation Hits: 10
References: 7167
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]+	213.01348	127.5
[M+Na]+	234.99542	131.4
[M+NH4]+	230.04002	132.3
[M+K]+	250.96936	127.9
[M-H]-	210.99892	122.0
[M+Na-2H]-	232.98087	120.2
[M]+	212.00565	125.4
[M]-	212.00675	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe