CID 14824899

1-iodo-3,3-dimethylbutane

Structural Information

Molecular Formula
C6H13I
SMILES
CC(C)(C)CCI
InChI
InChI=1S/C6H13I/c1-6(2,3)4-5-7/h4-5H2,1-3H3
InChIKey
KNKFLSQIGYRZAQ-UHFFFAOYSA-N
Compound name
1-iodo-3,3-dimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

212.0062 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.013476 133.2
[M+Na]+ 234.995418 133.8
[M-H]- 210.998924 127.1
[M+NH4]+ 230.040023 151.7
[M+K]+ 250.969358 139.4
[M+H-H2O]+ 195.003460 126.0
[M+HCOO]- 257.004401 150.2
[M+CH3COO]- 271.020051 179.1
[M+Na-2H]- 232.980866 128.0
[M]+ 212.00565142 131.5
[M]- 212.00674858 131.5
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