CID 89167

Methyl 3-(pyrrolidin-1-yl)propanoate

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

COC(=O)CCN1CCCC1

InChI

InChI=1S/C8H15NO2/c1-11-8(10)4-7-9-5-2-3-6-9/h2-7H2,1H3

InChIKey

JHYKOXJKJHTKTE-UHFFFAOYSA-N

Compound name

methyl 3-pyrrolidin-1-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 904
Patents: 157.11028 Da
Monoisotopic Mass: 0.6
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]+	158.11756	136.2
[M+Na]+	180.09950	145.0
[M+NH4]+	175.14410	143.7
[M+K]+	196.07344	141.7
[M-H]-	156.10300	135.9
[M+Na-2H]-	178.08495	139.5
[M]+	157.10973	136.9
[M]-	157.11083	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe