CID 204456

16344-98-2

Structural Information

Molecular Formula
C10H11I2NO3
SMILES
C1=C(C(=O)C(=CN1CCCCC(=O)O)I)I
InChI
InChI=1S/C10H11I2NO3/c11-7-5-13(6-8(12)10(7)16)4-2-1-3-9(14)15/h5-6H,1-4H2,(H,14,15)
InChIKey
QVAWNGWADTXLBI-UHFFFAOYSA-N
Compound name
5-(3,5-diiodo-4-oxo-1-pyridinyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.88284 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.890116 161.1
[M+Na]+ 469.872058 155.1
[M-H]- 445.875564 150.9
[M+NH4]+ 464.916663 167.1
[M+K]+ 485.845998 164.2
[M+H-H2O]+ 429.880100 148.8
[M+HCOO]- 491.881041 170.7
[M+CH3COO]- 505.896691 210.1
[M+Na-2H]- 467.857506 146.6
[M]+ 446.88229142 158.3
[M]- 446.88338858 158.3
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.