CID 80590

6317-35-7

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCOC(=O)CCN1CCCC1

InChI

InChI=1S/C9H17NO2/c1-2-12-9(11)5-8-10-6-3-4-7-10/h2-8H2,1H3

InChIKey

MVPICKVDHDWCJQ-UHFFFAOYSA-N

Compound name

ethyl 3-pyrrolidin-1-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49183
Patents: 171.12593 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]+	172.133206	140.5
[M+Na]+	194.115148	145.7
[M-H]-	170.118654	141.8
[M+NH4]+	189.159753	161.0
[M+K]+	210.089088	145.4
[M+H-H2O]+	154.123190	133.9
[M+HCOO]-	216.124131	161.2
[M+CH3COO]-	230.139781	178.1
[M+Na-2H]-	192.100596	143.0
[M]+	171.12538142	140.1
[M]-	171.12647858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe