CID 10965820

2-(3-iodopropyl)oxirane

Structural Information

Molecular Formula
C5H9IO
SMILES
C1C(O1)CCCI
InChI
InChI=1S/C5H9IO/c6-3-1-2-5-4-7-5/h5H,1-4H2
InChIKey
CDTNXHPTAOCBTR-UHFFFAOYSA-N
Compound name
2-(3-iodopropyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

211.9698 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97708 130.8
[M+Na]+ 234.95902 133.4
[M-H]- 210.96252 129.5
[M+NH4]+ 230.00362 143.3
[M+K]+ 250.93296 138.9
[M+H-H2O]+ 194.96706 121.6
[M+HCOO]- 256.96800 149.2
[M+CH3COO]- 270.98365 180.2
[M+Na-2H]- 232.94447 127.5
[M]+ 211.96925 132.3
[M]- 211.97035 132.3
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

No patent data available for this compound.