CID 11665

2-iodo-2-methylbutane

Structural Information

Molecular Formula

C₅H₁₁I

SMILES

CCC(C)(C)I

InChI

InChI=1S/C5H11I/c1-4-5(2,3)6/h4H2,1-3H3

InChIKey

NWRZTQFWFPLHHX-UHFFFAOYSA-N

Compound name

2-iodo-2-methylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 294
Patents: 197.99055 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]+	198.99783	128.2
[M+Na]+	220.97977	129.1
[M-H]-	196.98327	122.3
[M+NH4]+	216.02437	147.1
[M+K]+	236.95371	135.0
[M+H-H2O]+	180.98781	121.2
[M+HCOO]-	242.98875	145.5
[M+CH3COO]-	257.00440	176.9
[M+Na-2H]-	218.96522	123.6
[M]+	197.99000	126.3
[M]-	197.99110	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe