CID 77078449

1428629-70-2

Structural Information

Molecular Formula

C₁₆H₂₃NO₈

SMILES

C#CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C16H23NO8/c1-2-6-21-8-10-23-12-13-24-11-9-22-7-5-16(20)25-17-14(18)3-4-15(17)19/h1H,3-13H2

InChIKey

GRIZGOGILWMGRU-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 357.14236 Da
Monoisotopic Mass: -1.3
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]+	358.149636	169.7
[M+Na]+	380.131578	176.0
[M-H]-	356.135084	169.1
[M+NH4]+	375.176183	180.8
[M+K]+	396.105518	174.6
[M+H-H2O]+	340.139620	155.9
[M+HCOO]-	402.140561	184.4
[M+CH3COO]-	416.156211	215.5
[M+Na-2H]-	378.117026	168.8
[M]+	357.14181142	173.0
[M]-	357.14290858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe