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
3
Annotation Hits

7
References

2404
Patents

296.1001 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.107376 162.1
[M+Na]+ 319.089318 159.8
[M-H]- 295.092824 154.5
[M+NH4]+ 314.133923 177.1
[M+K]+ 335.063258 163.4
[M+H-H2O]+ 279.097360 152.9
[M+HCOO]- 341.098301 178.6
[M+CH3COO]- 355.113951 196.6
[M+Na-2H]- 317.074766 153.0
[M]+ 296.09955142 163.1
[M]- 296.10064858 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