CID 79614

Ethyl pyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCOC(=O)N1CCCC1

InChI

InChI=1S/C7H13NO2/c1-2-10-7(9)8-5-3-4-6-8/h2-6H2,1H3

InChIKey

WGTHNNRORWFTFA-UHFFFAOYSA-N

Compound name

ethyl pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 388
Patents: 143.09464 Da
Monoisotopic Mass: 1.0
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]+	144.101916	131.4
[M+Na]+	166.083858	137.6
[M-H]-	142.087364	133.1
[M+NH4]+	161.128463	153.2
[M+K]+	182.057798	137.8
[M+H-H2O]+	126.091900	125.3
[M+HCOO]-	188.092841	152.8
[M+CH3COO]-	202.108491	171.4
[M+Na-2H]-	164.069306	135.0
[M]+	143.09409142	130.3
[M]-	143.09518858	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe