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

12
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

literature stripe

Patent stripe

patents stripe