CID 4993465

2-ethylpyrrolidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CCC1CCCN1

InChI

InChI=1S/C6H13N/c1-2-6-4-3-5-7-6/h6-7H,2-5H2,1H3

InChIKey

JFZLDRUSMYBXRI-UHFFFAOYSA-N

Compound name

2-ethylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2117
Patents: 99.1048 Da
Monoisotopic Mass: 1.2
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]+	100.112076	121.9
[M+Na]+	122.094018	128.0
[M-H]-	98.097524	122.2
[M+NH4]+	117.138623	144.8
[M+K]+	138.067958	126.8
[M+H-H2O]+	82.102060	116.3
[M+HCOO]-	144.103001	142.4
[M+CH3COO]-	158.118651	163.2
[M+Na-2H]-	120.079466	126.8
[M]+	99.10425142	117.1
[M]-	99.10534858	117.1

Literature stripe

literature stripe

Patent stripe

patents stripe