CID 92127

Glyceryl iodide

Structural Information

Molecular Formula

SMILES

C(C(CI)O)O

InChI

InChI=1S/C3H7IO2/c4-1-3(6)2-5/h3,5-6H,1-2H2

InChIKey

GLJRUXJFSCIQFV-UHFFFAOYSA-N

Compound name

3-iodopropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 228
Patents: 201.94908 Da
Monoisotopic Mass: 0.0
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]+	202.95636	130.9
[M+Na]+	224.93830	130.9
[M-H]-	200.94180	122.2
[M+NH4]+	219.98290	147.9
[M+K]+	240.91224	136.4
[M+H-H2O]+	184.94634	123.4
[M+HCOO]-	246.94728	146.8
[M+CH3COO]-	260.96293	170.1
[M+Na-2H]-	222.92375	124.0
[M]+	201.94853	127.0
[M]-	201.94963	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe