CID 124252998

1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C6H9IO
SMILES
C1C2CC1(OC2)CI
InChI
InChI=1S/C6H9IO/c7-4-6-1-5(2-6)3-8-6/h5H,1-4H2
InChIKey
SWEMXCZSPLYNSF-UHFFFAOYSA-N
Compound name
1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

223.9698 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.97708 122.5
[M+Na]+ 246.95902 123.1
[M-H]- 222.96252 118.3
[M+NH4]+ 242.00362 141.6
[M+K]+ 262.93296 130.9
[M+H-H2O]+ 206.96706 113.9
[M+HCOO]- 268.96800 136.8
[M+CH3COO]- 282.98365 133.0
[M+Na-2H]- 244.94447 121.8
[M]+ 223.96925 132.6
[M]- 223.97035 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe