CID 13356686

3-iodooxetane

Structural Information

Molecular Formula
C3H5IO
SMILES
C1C(CO1)I
InChI
InChI=1S/C3H5IO/c4-3-1-5-2-3/h3H,1-2H2
InChIKey
KBEIFKMKVCDETC-UHFFFAOYSA-N
Compound name
3-iodooxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2455
Patents

183.9385 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.94578 115.3
[M+Na]+ 206.92772 115.3
[M-H]- 182.93122 113.1
[M+NH4]+ 201.97232 127.2
[M+K]+ 222.90166 125.2
[M+H-H2O]+ 166.93576 103.2
[M+HCOO]- 228.93670 132.8
[M+CH3COO]- 242.95235 174.2
[M+Na-2H]- 204.91317 112.8
[M]+ 183.93795 120.6
[M]- 183.93905 120.6
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