CID 210998

1-pyrrolidinebutanoic acid, ethyl ester

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CCOC(=O)CCCN1CCCC1

InChI

InChI=1S/C10H19NO2/c1-2-13-10(12)6-5-9-11-7-3-4-8-11/h2-9H2,1H3

InChIKey

RCWIJDQRQTXVFS-UHFFFAOYSA-N

Compound name

ethyl 4-pyrrolidin-1-ylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 185.14159 Da
Monoisotopic Mass: 1.3
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]+	186.148866	145.1
[M+Na]+	208.130808	149.9
[M-H]-	184.134314	146.2
[M+NH4]+	203.175413	165.1
[M+K]+	224.104748	149.3
[M+H-H2O]+	168.138850	138.4
[M+HCOO]-	230.139791	165.4
[M+CH3COO]-	244.155441	181.1
[M+Na-2H]-	206.116256	147.1
[M]+	185.14104142	145.1
[M]-	185.14213858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe