CID 5021630

Glycyldehydrophenylalanine

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃

SMILES

C1=CC=C(C=C1)C=C(C(=O)O)NC(=O)CN

InChI

InChI=1S/C11H12N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,14)(H,15,16)

InChIKey

PRVHUDHZTISSOD-UHFFFAOYSA-N

Compound name

2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 220.0848 Da
Monoisotopic Mass: -1.9
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]+	221.09208	149.2
[M+Na]+	243.07402	153.6
[M-H]-	219.07752	150.6
[M+NH4]+	238.11862	165.4
[M+K]+	259.04796	151.2
[M+H-H2O]+	203.08206	142.4
[M+HCOO]-	265.08300	171.3
[M+CH3COO]-	279.09865	189.1
[M+Na-2H]-	241.05947	151.6
[M]+	220.08425	145.5
[M]-	220.08535	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe