CID 20373640

1,5-diiodo-3-methylpentane

Structural Information

Molecular Formula

C₆H₁₂I₂

SMILES

CC(CCI)CCI

InChI

InChI=1S/C6H12I2/c1-6(2-4-7)3-5-8/h6H,2-5H2,1H3

InChIKey

JZQMFKNWCOSKMT-UHFFFAOYSA-N

Compound name

1,5-diiodo-3-methylpentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 337.90286 Da
Monoisotopic Mass: 4.7
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]+	338.91014	138.9
[M+Na]+	360.89208	131.3
[M-H]-	336.89558	128.1
[M+NH4]+	355.93668	149.9
[M+K]+	376.86602	142.3
[M+H-H2O]+	320.90012	128.6
[M+HCOO]-	382.90106	149.9
[M+CH3COO]-	396.91671	198.4
[M+Na-2H]-	358.87753	126.1
[M]+	337.90231	135.1
[M]-	337.90341	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe