CID 2763052

(iodomethyl)cyclobutane

Structural Information

Molecular Formula

SMILES

C1CC(C1)CI

InChI

InChI=1S/C5H9I/c6-4-5-2-1-3-5/h5H,1-4H2

InChIKey

FHHQLLOJOKZLST-UHFFFAOYSA-N

Compound name

iodomethylcyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 313
Patents: 195.9749 Da
Monoisotopic Mass: 3.2
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]+	196.982176	121.7
[M+Na]+	218.964118	121.0
[M-H]-	194.967624	118.6
[M+NH4]+	214.008723	134.4
[M+K]+	234.938058	129.0
[M+H-H2O]+	178.972160	109.4
[M+HCOO]-	240.973101	139.2
[M+CH3COO]-	254.988751	178.1
[M+Na-2H]-	216.949566	117.2
[M]+	195.97435142	125.8
[M]-	195.97544858	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe