CID 204457

16344-99-3

Structural Information

Molecular Formula
C11H13I2NO3
SMILES
C1=C(C(=O)C(=CN1CCCCCC(=O)O)I)I
InChI
InChI=1S/C11H13I2NO3/c12-8-6-14(7-9(13)11(8)17)5-3-1-2-4-10(15)16/h6-7H,1-5H2,(H,15,16)
InChIKey
WGSJKRPLMADJHD-UHFFFAOYSA-N
Compound name
6-(3,5-diiodo-4-oxopyridin-1-yl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.8985 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.90578 165.8
[M+Na]+ 483.88772 159.3
[M-H]- 459.89122 155.3
[M+NH4]+ 478.93232 171.2
[M+K]+ 499.86166 168.3
[M+H-H2O]+ 443.89576 153.3
[M+HCOO]- 505.89670 175.0
[M+CH3COO]- 519.91235 212.4
[M+Na-2H]- 481.87317 150.7
[M]+ 460.89795 163.2
[M]- 460.89905 163.2
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.