CID 100825

23911-26-4

Structural Information

Molecular Formula

C₁₄H₁₉N₃O₈

SMILES

C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O

InChI

InChI=1S/C14H19N3O8/c18-10(19)5-15(1-3-16-6-11(20)24-12(21)7-16)2-4-17-8-13(22)25-14(23)9-17/h1-9H2,(H,18,19)

InChIKey

RAZLJUXJEOEYAM-UHFFFAOYSA-N

Compound name

2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 19
References: 2986
Patents: 357.11722 Da
Monoisotopic Mass: -3.3
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]+	358.12450	178.1
[M+Na]+	380.10644	181.4
[M-H]-	356.10994	182.1
[M+NH4]+	375.15104	184.0
[M+K]+	396.08038	182.9
[M+H-H2O]+	340.11448	168.6
[M+HCOO]-	402.11542	190.7
[M+CH3COO]-	416.13107	216.2
[M+Na-2H]-	378.09189	178.0
[M]+	357.11667	178.6
[M]-	357.11777	178.6

Literature stripe

literature stripe

Patent stripe

patents stripe