CID 76177

Z-gly-osu

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₆

SMILES

C1CC(=O)N(C1=O)OC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H14N2O6/c17-11-6-7-12(18)16(11)22-13(19)8-15-14(20)21-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,20)

InChIKey

WSCWXNZWFZXKEH-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 2-(phenylmethoxycarbonylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 289
Patents: 306.08517 Da
Monoisotopic Mass: 0.5
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]+	307.092446	165.3
[M+Na]+	329.074388	170.6
[M-H]-	305.077894	170.4
[M+NH4]+	324.118993	179.5
[M+K]+	345.048328	169.4
[M+H-H2O]+	289.082430	157.0
[M+HCOO]-	351.083371	187.3
[M+CH3COO]-	365.099021	201.8
[M+Na-2H]-	327.059836	166.2
[M]+	306.08462142	167.1
[M]-	306.08571858	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe