CID 79888

(s)-ethyl pyrrolidine-2-carboxylate

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCOC(=O)[C@@H]1CCCN1

InChI

InChI=1S/C7H13NO2/c1-2-10-7(9)6-4-3-5-8-6/h6,8H,2-5H2,1H3/t6-/m0/s1

InChIKey

QPNJHVDIRZNKOX-LURJTMIESA-N

Compound name

ethyl (2S)-pyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1230
Patents: 143.09464 Da
Monoisotopic Mass: 0.5
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]+	144.10192	132.2
[M+Na]+	166.08386	140.6
[M+NH4]+	161.12846	139.5
[M+K]+	182.05780	137.9
[M-H]-	142.08736	131.4
[M+Na-2H]-	164.06931	135.1
[M]+	143.09409	132.7
[M]-	143.09519	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe