CID 18185989

3-methyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC1=C(C(=O)CC1)N2CCCC2

InChI

InChI=1S/C10H15NO/c1-8-4-5-9(12)10(8)11-6-2-3-7-11/h2-7H2,1H3

InChIKey

SXIDVHLMAKILQP-UHFFFAOYSA-N

Compound name

3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1450
Patents: 165.11537 Da
Monoisotopic Mass: 1.3
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]+	166.122646	137.2
[M+Na]+	188.104588	144.3
[M-H]-	164.108094	142.4
[M+NH4]+	183.149193	159.9
[M+K]+	204.078528	142.5
[M+H-H2O]+	148.112630	130.9
[M+HCOO]-	210.113571	159.1
[M+CH3COO]-	224.129221	177.5
[M+Na-2H]-	186.090036	137.9
[M]+	165.11482142	134.1
[M]-	165.11591858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe