CID 13202144

Brn 1462316

Structural Information

Molecular Formula

C₉H₁₄N₂O₃

SMILES

C=CCOC1CC(=O)N(C1)CC(=O)N

InChI

InChI=1S/C9H14N2O3/c1-2-3-14-7-4-9(13)11(5-7)6-8(10)12/h2,7H,1,3-6H2,(H2,10,12)

InChIKey

RDAIBCNBTCENKD-UHFFFAOYSA-N

Compound name

2-(2-oxo-4-prop-2-enoxypyrrolidin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 198.10045 Da
Monoisotopic Mass: -1.1
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]+	199.107726	143.2
[M+Na]+	221.089668	149.8
[M-H]-	197.093174	144.7
[M+NH4]+	216.134273	162.3
[M+K]+	237.063608	148.2
[M+H-H2O]+	181.097710	136.8
[M+HCOO]-	243.098651	164.8
[M+CH3COO]-	257.114301	185.7
[M+Na-2H]-	219.075116	143.9
[M]+	198.09990142	141.9
[M]-	198.10099858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe