CID 164698

2-(iodomethyl)oxirane

Structural Information

Molecular Formula
C3H5IO
SMILES
C1C(O1)CI
InChI
InChI=1S/C3H5IO/c4-1-3-2-5-3/h3H,1-2H2
InChIKey
AGIBHMPYXXPGAX-UHFFFAOYSA-N
Compound name
2-(iodomethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3309
Patents

183.9385 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.945776 121.6
[M+Na]+ 206.927718 124.9
[M-H]- 182.931224 120.7
[M+NH4]+ 201.972323 135.1
[M+K]+ 222.901658 131.0
[M+H-H2O]+ 166.935760 112.7
[M+HCOO]- 228.936701 140.7
[M+CH3COO]- 242.952351 174.7
[M+Na-2H]- 204.913166 119.4
[M]+ 183.93795142 122.5
[M]- 183.93904858 122.5
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