CID 10942897

938-54-5

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCN1CCC[C@H]1C(=O)OCC

InChI

InChI=1S/C9H17NO2/c1-3-10-7-5-6-8(10)9(11)12-4-2/h8H,3-7H2,1-2H3/t8-/m0/s1

InChIKey

CUDOPASYFARLIF-QMMMGPOBSA-N

Compound name

ethyl (2S)-1-ethylpyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 171.12593 Da
Monoisotopic Mass: 1.4
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]+	172.13321	139.7
[M+Na]+	194.11515	145.9
[M-H]-	170.11865	141.4
[M+NH4]+	189.15975	160.6
[M+K]+	210.08909	145.6
[M+H-H2O]+	154.12319	133.6
[M+HCOO]-	216.12413	160.4
[M+CH3COO]-	230.13978	179.2
[M+Na-2H]-	192.10060	141.6
[M]+	171.12538	139.8
[M]-	171.12648	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe