CID 20282

1-iodododecane

Structural Information

Molecular Formula
C12H25I
SMILES
CCCCCCCCCCCCI
InChI
InChI=1S/C12H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKey
GCDPERPXPREHJF-UHFFFAOYSA-N
Compound name
1-iodododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

2596
Patents

296.1001 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10738 162.1
[M+Na]+ 319.08932 159.8
[M-H]- 295.09282 154.5
[M+NH4]+ 314.13392 177.1
[M+K]+ 335.06326 163.4
[M+H-H2O]+ 279.09736 152.9
[M+HCOO]- 341.09830 178.6
[M+CH3COO]- 355.11395 196.6
[M+Na-2H]- 317.07477 153.0
[M]+ 296.09955 163.1
[M]- 296.10065 163.1
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