CID 72207332

6-iodo-2-oxaspiro[3.3]heptane

Structural Information

Molecular Formula

SMILES

C1C(CC12COC2)I

InChI

InChI=1S/C6H9IO/c7-5-1-6(2-5)3-8-4-6/h5H,1-4H2

InChIKey

AKUIJMJEPKXSAA-UHFFFAOYSA-N

Compound name

6-iodo-2-oxaspiro[3.3]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 223.9698 Da
Monoisotopic Mass: 1.5
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]+	224.97708	117.1
[M+Na]+	246.95902	116.3
[M-H]-	222.96252	117.2
[M+NH4]+	242.00362	123.4
[M+K]+	262.93296	127.0
[M+H-H2O]+	206.96706	102.7
[M+HCOO]-	268.96800	131.5
[M+CH3COO]-	282.98365	190.0
[M+Na-2H]-	244.94447	115.5
[M]+	223.96925	129.3
[M]-	223.97035	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe