CID 20373640

1,5-diiodo-3-methylpentane

Structural Information

Molecular Formula
C6H12I2
SMILES
CC(CCI)CCI
InChI
InChI=1S/C6H12I2/c1-6(2-4-7)3-5-8/h6H,2-5H2,1H3
InChIKey
JZQMFKNWCOSKMT-UHFFFAOYSA-N
Compound name
1,5-diiodo-3-methylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

337.90286 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.910136 138.9
[M+Na]+ 360.892078 131.3
[M-H]- 336.895584 128.1
[M+NH4]+ 355.936683 149.9
[M+K]+ 376.866018 142.3
[M+H-H2O]+ 320.900120 128.6
[M+HCOO]- 382.901061 149.9
[M+CH3COO]- 396.916711 198.4
[M+Na-2H]- 358.877526 126.1
[M]+ 337.90231142 135.1
[M]- 337.90340858 135.1
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