CID 11139278

4-(iodomethyl)-2,2-dimethyl-1,3-dioxolane

Structural Information

Molecular Formula

C₆H₁₁IO₂

SMILES

CC1(OCC(O1)CI)C

InChI

InChI=1S/C6H11IO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3

InChIKey

BBKBPYFNBFEICG-UHFFFAOYSA-N

Compound name

4-(iodomethyl)-2,2-dimethyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 241.98038 Da
Monoisotopic Mass: 1.6
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]+	242.98766	134.1
[M+Na]+	264.96960	137.3
[M+NH4]+	260.01420	139.7
[M+K]+	280.94354	136.0
[M-H]-	240.97310	131.4
[M+Na-2H]-	262.95505	126.7
[M]+	241.97983	132.8
[M]-	241.98093	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe