CID 132398601

2172256-67-4

Structural Information

Molecular Formula

C₈H₁₃IO₂

SMILES

C1COCC2C1OC(C2)CI

InChI

InChI=1S/C8H13IO2/c9-4-7-3-6-5-10-2-1-8(6)11-7/h6-8H,1-5H2

InChIKey

UHULEUDFQUKMTK-UHFFFAOYSA-N

Compound name

2-(iodomethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.99603 Da
Monoisotopic Mass: 1.7
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]+	269.003306	139.8
[M+Na]+	290.985248	138.8
[M-H]-	266.988754	137.5
[M+NH4]+	286.029853	155.6
[M+K]+	306.959188	145.3
[M+H-H2O]+	250.993290	131.5
[M+HCOO]-	312.994231	153.0
[M+CH3COO]-	327.009881	184.1
[M+Na-2H]-	288.970696	134.0
[M]+	267.99548142	135.2
[M]-	267.99657858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.