CID 3077959

Brn 4749043

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

CCCOC1CCC(=O)N1CC2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c1-2-10-17-14-9-8-13(16)15(14)11-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3

InChIKey

VDSUSCVJIQVSRE-UHFFFAOYSA-N

Compound name

1-benzyl-5-propoxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 233.14159 Da
Monoisotopic Mass: 2.2
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]+	234.14887	154.0
[M+Na]+	256.13081	160.5
[M-H]-	232.13431	158.9
[M+NH4]+	251.17541	172.3
[M+K]+	272.10475	157.6
[M+H-H2O]+	216.13885	146.3
[M+HCOO]-	278.13979	175.6
[M+CH3COO]-	292.15544	190.7
[M+Na-2H]-	254.11626	156.1
[M]+	233.14104	154.4
[M]-	233.14214	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe