CID 2763052

(iodomethyl)cyclobutane

Structural Information

Molecular Formula
C5H9I
SMILES
C1CC(C1)CI
InChI
InChI=1S/C5H9I/c6-4-5-2-1-3-5/h5H,1-4H2
InChIKey
FHHQLLOJOKZLST-UHFFFAOYSA-N
Compound name
iodomethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

309
Patents

195.9749 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.98218 121.7
[M+Na]+ 218.96412 121.0
[M-H]- 194.96762 118.6
[M+NH4]+ 214.00872 134.4
[M+K]+ 234.93806 129.0
[M+H-H2O]+ 178.97216 109.4
[M+HCOO]- 240.97310 139.2
[M+CH3COO]- 254.98875 178.1
[M+Na-2H]- 216.94957 117.2
[M]+ 195.97435 125.8
[M]- 195.97545 125.8
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