CID 230414

(iodomethyl)cyclohexane

Structural Information

Molecular Formula

C₇H₁₃I

SMILES

C1CCC(CC1)CI

InChI

InChI=1S/C7H13I/c8-6-7-4-2-1-3-5-7/h7H,1-6H2

InChIKey

CXHHAWACKSPTFF-UHFFFAOYSA-N

Compound name

iodomethylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 396
Patents: 224.0062 Da
Monoisotopic Mass: 4.3
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]+	225.013476	132.2
[M+Na]+	246.995418	130.1
[M-H]-	222.998924	127.8
[M+NH4]+	242.040023	149.3
[M+K]+	262.969358	135.0
[M+H-H2O]+	207.003460	123.4
[M+HCOO]-	269.004401	147.8
[M+CH3COO]-	283.020051	178.7
[M+Na-2H]-	244.980866	126.0
[M]+	224.00565142	124.9
[M]-	224.00674858	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe