CID 364860

2-(iodomethyl)oxolane

Structural Information

Molecular Formula
C5H9IO
SMILES
C1CC(OC1)CI
InChI
InChI=1S/C5H9IO/c6-4-5-2-1-3-7-5/h5H,1-4H2
InChIKey
BMZJORGYEOQMFR-UHFFFAOYSA-N
Compound name
2-(iodomethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

211.9698 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe