CID 10569269

Methyl 4-iodo-l-phenylalaninate (hydrochloride)

Structural Information

Molecular Formula

C₁₀H₁₂INO₂

SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)I)N

InChI

InChI=1S/C10H12INO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-/m0/s1

InChIKey

FFJCJOBIONHKJL-VIFPVBQESA-N

Compound name

methyl (2S)-2-amino-3-(4-iodophenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 304.99127 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	305.99855	157.9
[M+Na]+	327.98049	157.3
[M-H]-	303.98399	154.0
[M+NH4]+	323.02509	171.6
[M+K]+	343.95443	161.6
[M+H-H2O]+	287.98853	147.9
[M+HCOO]-	349.98947	175.6
[M+CH3COO]-	364.00512	194.9
[M+Na-2H]-	325.96594	148.4
[M]+	304.99072	154.9
[M]-	304.99182	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe