CID 4687646

Ethyl 2-amino-3-(4-iodophenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C11H14INO2
SMILES
CCOC(=O)C(CC1=CC=C(C=C1)I)N
InChI
InChI=1S/C11H14INO2/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3
InChIKey
JPGZZQSPPYTPOG-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-(4-iodophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

319.00693 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.01421 162.8
[M+Na]+ 341.99615 161.8
[M-H]- 317.99965 158.7
[M+NH4]+ 337.04075 176.0
[M+K]+ 357.97009 165.9
[M+H-H2O]+ 302.00419 152.6
[M+HCOO]- 364.00513 180.1
[M+CH3COO]- 378.02078 197.8
[M+Na-2H]- 339.98160 152.8
[M]+ 319.00638 160.2
[M]- 319.00748 160.2
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