CID 18185986

Trans-4,5-dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC1C=C(C(=O)C1C)N2CCCC2

InChI

InChI=1S/C11H17NO/c1-8-7-10(11(13)9(8)2)12-5-3-4-6-12/h7-9H,3-6H2,1-2H3

InChIKey

QIZMUNLEIQZDBA-UHFFFAOYSA-N

Compound name

4,5-dimethyl-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]+	180.138286	141.1
[M+Na]+	202.120228	148.8
[M-H]-	178.123734	146.6
[M+NH4]+	197.164833	163.7
[M+K]+	218.094168	146.7
[M+H-H2O]+	162.128270	135.1
[M+HCOO]-	224.129211	162.8
[M+CH3COO]-	238.144861	181.6
[M+Na-2H]-	200.105676	140.7
[M]+	179.13046142	138.8
[M]-	179.13155858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe