CID 211495

23217-86-9

Structural Information

Molecular Formula
C11H12I3NO2
SMILES
CCCC(C1=C(C(=C(C=C1I)I)N)I)C(=O)O
InChI
InChI=1S/C11H12I3NO2/c1-2-3-5(11(16)17)8-6(12)4-7(13)10(15)9(8)14/h4-5H,2-3,15H2,1H3,(H,16,17)
InChIKey
QTPSBMKJBKPOTM-UHFFFAOYSA-N
Compound name
2-(3-amino-2,4,6-triiodophenyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

570.8002 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.80748 182.4
[M+Na]+ 593.78942 171.3
[M+NH4]+ 588.83402 176.8
[M+K]+ 609.76336 176.0
[M-H]- 569.79292 168.7
[M+Na-2H]- 591.77487 162.4
[M]+ 570.79965 174.5
[M]- 570.80075 174.5
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.