CID 70510384

Methyl2-(5-oxopyrrolidin-2-yl)propanoate

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CC(C1CCC(=O)N1)C(=O)OC

InChI

InChI=1S/C8H13NO3/c1-5(8(11)12-2)6-3-4-7(10)9-6/h5-6H,3-4H2,1-2H3,(H,9,10)

InChIKey

YYEXMUINRPBAPZ-UHFFFAOYSA-N

Compound name

methyl 2-(5-oxopyrrolidin-2-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 171.08954 Da
Monoisotopic Mass: 0.1
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]+	172.09682	138.4
[M+Na]+	194.07876	146.2
[M+NH4]+	189.12336	144.6
[M+K]+	210.05270	144.7
[M-H]-	170.08226	136.6
[M+Na-2H]-	192.06421	139.9
[M]+	171.08899	138.4
[M]-	171.09009	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe