CID 68337829

(2-iodoethyl)cyclobutane

Structural Information

Molecular Formula

C₆H₁₁I

SMILES

C1CC(C1)CCI

InChI

InChI=1S/C6H11I/c7-5-4-6-2-1-3-6/h6H,1-5H2

InChIKey

LQTOFXKBSLHXFT-UHFFFAOYSA-N

Compound name

2-iodoethylcyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 209.99055 Da
Monoisotopic Mass: 3.7
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]+	210.99783	126.7
[M+Na]+	232.97977	125.6
[M-H]-	208.98327	123.4
[M+NH4]+	228.02437	138.8
[M+K]+	248.95371	133.3
[M+H-H2O]+	192.98781	114.1
[M+HCOO]-	254.98875	143.8
[M+CH3COO]-	269.00440	180.9
[M+Na-2H]-	230.96522	121.5
[M]+	209.99000	131.1
[M]-	209.99110	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe