CID 15553227

2,5-dimethyl-4-(1-pyrrolidinyl)-3(2h)-furanone

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC1C(=O)C(=C(O1)C)N2CCCC2

InChI

InChI=1S/C10H15NO2/c1-7-9(10(12)8(2)13-7)11-5-3-4-6-11/h8H,3-6H2,1-2H3

InChIKey

FRPGHNBHIDMQGT-UHFFFAOYSA-N

Compound name

2,5-dimethyl-4-pyrrolidin-1-ylfuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 834
Patents: 181.11028 Da
Monoisotopic Mass: 1.7
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]+	182.11756	139.9
[M+Na]+	204.09950	150.2
[M+NH4]+	199.14410	148.1
[M+K]+	220.07344	148.8
[M-H]-	180.10300	143.1
[M+Na-2H]-	202.08495	143.5
[M]+	181.10973	142.0
[M]-	181.11083	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe