CID 538269

5-iodopentan-2-one

Structural Information

Molecular Formula
C5H9IO
SMILES
CC(=O)CCCI
InChI
InChI=1S/C5H9IO/c1-5(7)3-2-4-6/h2-4H2,1H3
InChIKey
RZXWNQYIRHMNTQ-UHFFFAOYSA-N
Compound name
5-iodopentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
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 130.6
[M+Na]+ 234.95902 131.0
[M-H]- 210.96252 124.4
[M+NH4]+ 230.00362 148.6
[M+K]+ 250.93296 136.8
[M+H-H2O]+ 194.96706 122.8
[M+HCOO]- 256.96800 148.8
[M+CH3COO]- 270.98365 178.2
[M+Na-2H]- 232.94447 124.2
[M]+ 211.96925 129.2
[M]- 211.97035 129.2
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.