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

54
Patents

290.97562 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.98290 154.4
[M+Na]+ 313.96484 153.7
[M-H]- 289.96834 149.3
[M+NH4]+ 309.00944 167.9
[M+K]+ 329.93878 157.4
[M+H-H2O]+ 273.97288 144.7
[M+HCOO]- 335.97382 170.9
[M+CH3COO]- 349.98947 190.4
[M+Na-2H]- 311.95029 144.9
[M]+ 290.97507 149.4
[M]- 290.97617 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