CID 11458508

3-(iodomethyl)pentane

Structural Information

Molecular Formula

C₆H₁₃I

SMILES

CCC(CC)CI

InChI

InChI=1S/C6H13I/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3

InChIKey

FQQKJFCXOKMBTA-UHFFFAOYSA-N

Compound name

3-(iodomethyl)pentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 149
Patents: 212.0062 Da
Monoisotopic Mass: 3.9
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	128.7
[M+Na]+	234.99542	132.2
[M+NH4]+	230.04002	133.4
[M+K]+	250.96936	129.4
[M-H]-	210.99892	122.9
[M+Na-2H]-	232.98087	121.0
[M]+	212.00565	126.4
[M]-	212.00675	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe