CID 66107163

4-(oxan-4-yl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

C1COCCC1C2CC(=O)NC2

InChI

InChI=1S/C9H15NO2/c11-9-5-8(6-10-9)7-1-3-12-4-2-7/h7-8H,1-6H2,(H,10,11)

InChIKey

BIVMGTDRMRKPNA-UHFFFAOYSA-N

Compound name

4-(oxan-4-yl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 169.11028 Da
Monoisotopic Mass: 0.1
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]+	170.11756	138.6
[M+Na]+	192.09950	148.0
[M+NH4]+	187.14410	146.8
[M+K]+	208.07344	144.7
[M-H]-	168.10300	141.7
[M+Na-2H]-	190.08495	142.3
[M]+	169.10973	140.4
[M]-	169.11083	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe