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

242
Patents

211.9698 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.977076 125.7
[M+Na]+ 234.959018 125.7
[M-H]- 210.962524 123.6
[M+NH4]+ 230.003623 138.4
[M+K]+ 250.932958 135.1
[M+H-H2O]+ 194.967060 114.4
[M+HCOO]- 256.968001 142.5
[M+CH3COO]- 270.983651 179.3
[M+Na-2H]- 232.944466 123.0
[M]+ 211.96925142 131.9
[M]- 211.97034858 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