CID 13778344

3-(iodomethyl)-3-methyloxetane

Structural Information

Molecular Formula
C5H9IO
SMILES
CC1(COC1)CI
InChI
InChI=1S/C5H9IO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
InChIKey
UAYNHSVKPDQASH-UHFFFAOYSA-N
Compound name
3-(iodomethyl)-3-methyloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

211.9698 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97708 125.7
[M+Na]+ 234.95902 125.7
[M-H]- 210.96252 123.6
[M+NH4]+ 230.00362 138.4
[M+K]+ 250.93296 135.1
[M+H-H2O]+ 194.96706 114.4
[M+HCOO]- 256.96800 142.5
[M+CH3COO]- 270.98365 179.3
[M+Na-2H]- 232.94447 123.0
[M]+ 211.96925 131.9
[M]- 211.97035 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe