CID 73784

Iodocyclopentane

Structural Information

Molecular Formula
C5H9I
SMILES
C1CCC(C1)I
InChI
InChI=1S/C5H9I/c6-5-3-1-2-4-5/h5H,1-4H2
InChIKey
PCEBAZIVZVIQEO-UHFFFAOYSA-N
Compound name
iodocyclopentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3766
Patents

195.9749 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.982176 123.8
[M+Na]+ 218.964118 123.6
[M-H]- 194.967624 120.1
[M+NH4]+ 214.008723 143.9
[M+K]+ 234.938058 128.9
[M+H-H2O]+ 178.972160 115.6
[M+HCOO]- 240.973101 142.2
[M+CH3COO]- 254.988751 172.8
[M+Na-2H]- 216.949566 117.4
[M]+ 195.97435142 117.9
[M]- 195.97544858 117.9
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