CID 29507

1-iodotetradecane

Structural Information

Molecular Formula
C14H29I
SMILES
CCCCCCCCCCCCCCI
InChI
InChI=1S/C14H29I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
InChIKey
FHQCFGPKNSSISL-UHFFFAOYSA-N
Compound name
1-iodotetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

961
Patents

324.1314 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13868 171.7
[M+Na]+ 347.12062 168.5
[M-H]- 323.12412 163.7
[M+NH4]+ 342.16522 185.6
[M+K]+ 363.09456 171.7
[M+H-H2O]+ 307.12866 162.1
[M+HCOO]- 369.12960 187.5
[M+CH3COO]- 383.14525 202.3
[M+Na-2H]- 345.10607 161.5
[M]+ 324.13085 173.3
[M]- 324.13195 173.3
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