CID 18185987

5-ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CCC1CC=C(C1=O)N2CCCC2

InChI

InChI=1S/C11H17NO/c1-2-9-5-6-10(11(9)13)12-7-3-4-8-12/h6,9H,2-5,7-8H2,1H3

InChIKey

IDLBOFBAMNDNFR-UHFFFAOYSA-N

Compound name

5-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 179.13101 Da
Monoisotopic Mass: 2.3
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]+	180.13829	142.6
[M+Na]+	202.12023	152.4
[M+NH4]+	197.16483	151.3
[M+K]+	218.09417	149.6
[M-H]-	178.12373	144.9
[M+Na-2H]-	200.10568	147.1
[M]+	179.13046	144.3
[M]-	179.13156	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe