CID 84953

1-iodo-2,2-dimethylpropane

Structural Information

Molecular Formula
C5H11I
SMILES
CC(C)(C)CI
InChI
InChI=1S/C5H11I/c1-5(2,3)4-6/h4H2,1-3H3
InChIKey
CJTZXIJETZZARD-UHFFFAOYSA-N
Compound name
1-iodo-2,2-dimethylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1378
Patents

197.99055 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99783 124.5
[M+Na]+ 220.97977 128.3
[M+NH4]+ 216.02437 129.3
[M+K]+ 236.95371 126.1
[M-H]- 196.98327 118.4
[M+Na-2H]- 218.96522 117.3
[M]+ 197.99000 122.3
[M]- 197.99110 122.3
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