CID 3077960

Brn 4747701

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

CC(C)OC1CCC(=O)N1CC2=CC=CC=C2

InChI

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

InChIKey

SSFSGFQDFLKKHU-UHFFFAOYSA-N

Compound name

1-benzyl-5-propan-2-yloxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 233.14159 Da
Monoisotopic Mass: 2.1
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]+	234.148866	154.3
[M+Na]+	256.130808	160.5
[M-H]-	232.134314	159.3
[M+NH4]+	251.175413	172.5
[M+K]+	272.104748	158.1
[M+H-H2O]+	216.138850	146.8
[M+HCOO]-	278.139791	174.9
[M+CH3COO]-	292.155441	191.6
[M+Na-2H]-	254.116256	155.2
[M]+	233.14104142	154.1
[M]-	233.14213858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe