CID 2763006

3-(iodomethyl)oxolane

Structural Information

Molecular Formula
C5H9IO
SMILES
C1COCC1CI
InChI
InChI=1S/C5H9IO/c6-3-5-1-2-7-4-5/h5H,1-4H2
InChIKey
UJXHPFDJZCXTQR-UHFFFAOYSA-N
Compound name
3-(iodomethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
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 128.8
[M+Na]+ 234.95902 128.6
[M-H]- 210.96252 125.6
[M+NH4]+ 230.00362 147.0
[M+K]+ 250.93296 135.1
[M+H-H2O]+ 194.96706 120.6
[M+HCOO]- 256.96800 146.4
[M+CH3COO]- 270.98365 174.4
[M+Na-2H]- 232.94447 123.2
[M]+ 211.96925 124.7
[M]- 211.97035 124.7
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