CID 13252905

1-iodo-2,3,3-trimethylbutane

Structural Information

Molecular Formula
C7H15I
SMILES
CC(CI)C(C)(C)C
InChI
InChI=1S/C7H15I/c1-6(5-8)7(2,3)4/h6H,5H2,1-4H3
InChIKey
NWOXPVMWDFLTSI-UHFFFAOYSA-N
Compound name
1-iodo-2,3,3-trimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.02185 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.029126 137.4
[M+Na]+ 249.011068 137.4
[M-H]- 225.014574 131.3
[M+NH4]+ 244.055673 155.3
[M+K]+ 264.985008 143.2
[M+H-H2O]+ 209.019110 130.1
[M+HCOO]- 271.020051 153.2
[M+CH3COO]- 285.035701 182.7
[M+Na-2H]- 246.996516 130.6
[M]+ 226.02130142 135.5
[M]- 226.02239858 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.