CID 417360

Glycyl-histidine

Structural Information

Molecular Formula

C₈H₁₂N₄O₃

SMILES

C1=C(NC=N1)CC(C(=O)O)NC(=O)CN

InChI

InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)

InChIKey

YIWFXZNIBQBFHR-UHFFFAOYSA-N

Compound name

2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 24
References: 2974
Patents: 212.09094 Da
Monoisotopic Mass: -3.9
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]+	213.09822	146.0
[M+Na]+	235.08016	150.5
[M-H]-	211.08366	143.8
[M+NH4]+	230.12476	160.8
[M+K]+	251.05410	148.8
[M+H-H2O]+	195.08820	138.1
[M+HCOO]-	257.08914	165.5
[M+CH3COO]-	271.10479	184.7
[M+Na-2H]-	233.06561	147.6
[M]+	212.09039	141.7
[M]-	212.09149	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe