CID 11206

Tert-butyl iodide

Structural Information

Molecular Formula
C4H9I
SMILES
CC(C)(C)I
InChI
InChI=1S/C4H9I/c1-4(2,3)5/h1-3H3
InChIKey
ANGGPYSFTXVERY-UHFFFAOYSA-N
Compound name
2-iodo-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

3851
Patents

183.9749 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.982176 123.2
[M+Na]+ 206.964118 124.5
[M-H]- 182.967624 117.5
[M+NH4]+ 202.008723 142.7
[M+K]+ 222.938058 130.7
[M+H-H2O]+ 166.972160 116.4
[M+HCOO]- 228.973101 140.9
[M+CH3COO]- 242.988751 174.0
[M+Na-2H]- 204.949566 119.2
[M]+ 183.97435142 121.0
[M]- 183.97544858 121.0
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