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-oxopyridin-1-yl)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]+ 447.89012 161.1
[M+Na]+ 469.87206 155.1
[M-H]- 445.87556 150.9
[M+NH4]+ 464.91666 167.1
[M+K]+ 485.84600 164.2
[M+H-H2O]+ 429.88010 148.8
[M+HCOO]- 491.88104 170.7
[M+CH3COO]- 505.89669 210.1
[M+Na-2H]- 467.85751 146.6
[M]+ 446.88229 158.3
[M]- 446.88339 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.