CID 43196

N-amyl-p-iodobenzyl carbonate

Structural Information

Molecular Formula
C13H17IO3
SMILES
CCCCCOC(=O)OCC1=CC=C(C=C1)I
InChI
InChI=1S/C13H17IO3/c1-2-3-4-9-16-13(15)17-10-11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3
InChIKey
ZEBYPAFVOKEDKM-UHFFFAOYSA-N
Compound name
(4-iodophenyl)methyl pentyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.02225 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.02953 166.4
[M+Na]+ 371.01147 170.2
[M+NH4]+ 366.05607 169.2
[M+K]+ 386.98541 166.7
[M-H]- 347.01497 161.3
[M+Na-2H]- 368.99692 158.7
[M]+ 348.02170 164.3
[M]- 348.02280 164.3
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.