CID 51340986

1174157-65-3

Structural Information

Molecular Formula

C₁₀H₁₁NO₅

SMILES

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

InChI

InChI=1S/C10H11NO5/c1-2-6-15-7-5-10(14)16-11-8(12)3-4-9(11)13/h1H,3-7H2

InChIKey

WKIKHHMUNOVQLD-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 3-prop-2-ynoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 262
Patents: 225.06372 Da
Monoisotopic Mass: -0.9
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]+	226.07100	146.9
[M+Na]+	248.05294	155.0
[M+NH4]+	243.09754	148.4
[M+K]+	264.02688	150.0
[M-H]-	224.05644	136.8
[M+Na-2H]-	246.03839	145.4
[M]+	225.06317	143.8
[M]-	225.06427	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe