CID 14786155

1-iodo-3-methylbicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C6H9I
SMILES
CC12CC(C1)(C2)I
InChI
InChI=1S/C6H9I/c1-5-2-6(7,3-5)4-5/h2-4H2,1H3
InChIKey
KKJUVXJKGMIUEC-UHFFFAOYSA-N
Compound name
1-iodo-3-methylbicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

207.9749 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.98218 135.2
[M+Na]+ 230.96412 135.9
[M-H]- 206.96762 134.3
[M+NH4]+ 226.00872 141.1
[M+K]+ 246.93806 144.9
[M+H-H2O]+ 190.97216 122.1
[M+HCOO]- 252.97310 146.1
[M+CH3COO]- 266.98875 205.9
[M+Na-2H]- 228.94957 135.2
[M]+ 207.97435 156.5
[M]- 207.97545 156.5
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