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

1566
Patents

197.99055 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.997826 128.2
[M+Na]+ 220.979768 129.2
[M-H]- 196.983274 122.3
[M+NH4]+ 216.024373 147.2
[M+K]+ 236.953708 135.1
[M+H-H2O]+ 180.987810 121.2
[M+HCOO]- 242.988751 145.6
[M+CH3COO]- 257.004401 176.3
[M+Na-2H]- 218.965216 123.7
[M]+ 197.99000142 126.2
[M]- 197.99109858 126.2
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