CID 759256

N-formyl-l-phenylalanine

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC=O

InChI

InChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)/t9-/m0/s1

InChIKey

NSTPXGARCQOSAU-VIFPVBQESA-N

Compound name

(2S)-2-formamido-3-phenylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 4845
Patents: 193.0739 Da
Monoisotopic Mass: 1.1
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]+	194.081176	140.7
[M+Na]+	216.063118	146.3
[M-H]-	192.066624	142.7
[M+NH4]+	211.107723	158.7
[M+K]+	232.037058	144.5
[M+H-H2O]+	176.071160	134.5
[M+HCOO]-	238.072101	163.6
[M+CH3COO]-	252.087751	182.7
[M+Na-2H]-	214.048566	145.7
[M]+	193.07335142	139.9
[M]-	193.07444858	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe