CID 2772342

3-amino-3-(3-iodophenyl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H10INO2
SMILES
C1=CC(=CC(=C1)I)C(CC(=O)O)N
InChI
InChI=1S/C9H10INO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKey
ZBOWULRIADNEHR-UHFFFAOYSA-N
Compound name
3-amino-3-(3-iodophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

290.97562 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.982896 154.4
[M+Na]+ 313.964838 153.7
[M-H]- 289.968344 149.3
[M+NH4]+ 309.009443 167.9
[M+K]+ 329.938778 157.4
[M+H-H2O]+ 273.972880 144.7
[M+HCOO]- 335.973821 170.9
[M+CH3COO]- 349.989471 190.4
[M+Na-2H]- 311.950286 144.9
[M]+ 290.97507142 149.4
[M]- 290.97616858 149.4
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

patents stripe